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RECEPTOR
|
STRUCTURE
|
SIGNAL PROTEIN
|
AUXILIARY PROTEIN
|
STRUCTURE LIGAND
|
ENDOGENOUS LIGAND
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SODIUM ION SITE
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REFERENCE
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ANNOTATED
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UniProt
|
IUPHAR | Receptor family | Cl. | Species | Method |
PDB
|
Refined structure |
Resolution | Preferred chain |
State |
Degree active (%) |
% of Seq | Family | Subtype | Note | % of Seq | Fusion | Antibodies | Name | Type | Function | Name | Type | D2x50 S3x39 |
Sodium in structure |
Authors | Reference | PDB Date | ||
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1F88 | 1F88_refined | 2.8 | A | Inactive | 22 | 97 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Palczewski K, Kumasaka T, Hori T, Behnke CA, Motoshima H, Fox BA, Le Trong I, Teller DC, Okada T, Stenkamp RE, Yamamoto M, Miyano M | 10.1126/SCIENCE.289.5480.739 | 2000-08-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1HZX | - | 2.8 | A | Inactive | 22 | 98 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Teller DC, Okada T, Behnke CA, Palczewski K, Stenkamp RE | 10.1021/BI0155091 | 2001-07-04 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1L9H | - | 2.6 | A | Inactive | 22 | 98 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Okada T, Fujiyoshi Y, Silow M, Navarro J, Landau EM, Shichida Y | 10.1073/PNAS.082666399 | 2002-05-15 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1GZM | 1GZM_refined | 2.7 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | - | 10.1016/J.JMB.2004.08.090 | 2003-11-20 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1U19 | 1U19_refined | 2.2 | A | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Okada T, Sugihara M, Bondar AN, Elstner M, Entel P, Buss V | 10.1016/J.JMB.2004.07.044 | 2004-10-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2HPY | - | 2.8 | B | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1073/PNAS.0601765103 | 2006-08-22 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2G87 | - | 2.6 | A | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1002/ANIE.200600595 | 2006-09-02 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I35 | - | 3.8 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I36 | - | 4.1 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I37 | - | 4.2 | A | Inactive | 22 | 91 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2J4Y | - | 3.4 | B | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Standfuss J, Xie G, Edwards PC, Burghammer M, Oprian DD, Schertler GF | 10.1016/J.JMB.2007.03.007 | 2007-09-25 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2PED | - | 3.0 | B | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (9-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Nakamichi H, Buss V, Okada T | 10.1529/BIOPHYSJ.107.108225 | 2007-10-30 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2RH1 | 2RH1_refined | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
PubChem
|
small-molecule | Inverse agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Cherezov V, Rosenbaum DM, Hanson MA, Rasmussen SG, Thian FS, Kobilka TS, Choi HJ, Kuhn P, Weis WI, Kobilka BK, Stevens RC | 10.1126/SCIENCE.1150577 | 2007-10-30 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4R | - | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4S | - | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2ZIY | - | 3.7 | A | Inactive | 13 | 83 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Shimamura T, Hiraki K, Takahashi N, Hori T, Ago H, Masuda K, Takio K, Ishiguro M, Miyano M | 10.1074/JBC.C800040200 | 2008-05-06 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2Z73 | 2Z73_refined | 2.5 | A | Inactive | 13 | 78 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1038/NATURE06925 | 2008-05-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3D4S | 3D4S_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
timolol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Inverse agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Hanson MA, Cherezov V, Griffith MT, Roth CB, Jaakola VP, Chien EY, Velasquez J, Kuhn P, Stevens RC | 10.1016/J.STR.2008.05.001 | 2008-06-17 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2VT4 | - | 2.7 | B | Inactive | 0 | 57 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Warne T, Serrano-Vega MJ, Baker JG, Moukhametzianov R, Edwards PC, Henderson R, Leslie AG, Tate CG, Schertler GF | 10.1038/NATURE07101 | 2008-06-24 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3CAP | - | 2.9 | A | Active | 99 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Park JH, Scheerer P, Hofmann KP, Choe HW, Ernst OP | 10.1038/NATURE07063 | 2008-06-24 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9L | 3C9L_refined | 2.7 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9M | 3C9M_refined | 3.4 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3KJ6 | - | 3.4 | A | Inactive | 1 | 54 | - | - | - | - | - | Antibody | - | - | - | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Bokoch MP, Zou Y, Rasmussen SG, Liu CW, Nygaard R, Rosenbaum DM, Fung JJ, Choi HJ, Thian FS, Kobilka TS, Puglisi JD, Weis WI, Pardo L, Prosser RS, Mueller L, Kobilka BK | 10.1038/NATURE08650 | 2010-02-16 | No | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3ODU | 3ODU_refined | 2.5 | A | Inactive | 5 | 83 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12β, CXCL12φ, CXCL12, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
DRD3 | D3 | Dopamine | A | Human | X-ray | 3PBL | 3PBL_refined | 2.9 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
eticlopride
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | dopamine | small-molecule | Yes | No | Chien EY, Liu W, Zhao Q, Katritch V, Han GW, Hanson MA, Shi L, Newman AH, Javitch JA, Cherezov V, Stevens RC | 10.1126/SCIENCE.1197410 | 2010-11-03 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3PDS | 3PDS_refined | 3.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
FAUC50
PubChem
|
small-molecule | Agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Rosenbaum DM, Zhang C, Lyons JA, Holl R, Aragao D, Arlow DH, Rasmussen SG, Choi HJ, Devree BT, Sunahara RK, Chae PS, Gellman SH, Dror RO, Shaw DE, Weis WI, Caffrey M, Gmeiner P, Kobilka BK | 10.1038/NATURE09665 | 2011-01-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3PXO | - | 3.0 | A | Active | 99 | 94 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP | 10.1038/NATURE09789 | 2011-03-09 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 2YDO | 2YDO_refined | 3.0 | A | Active | 73 | 73 | - | - | - | - | - | - |
adenosine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AG, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCW | 2YCW_refined | 3.0 | A | Inactive | 0 | 61 | - | - | - | - | - | - |
Carazolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-01 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3SN6 | 3SN6_refined | 3.2 | R | Active | 100 | 69 | Gs | αs | - | 89 | T4-Lysozyme | Antibody |
BI-167107
PubChem
|
small-molecule | Agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Rasmussen SG, DeVree BT, Zou Y, Kruse AC, Chung KY, Kobilka TS, Thian FS, Chae PS, Pardon E, Calinski D, Mathiesen JM, Shah ST, Lyons JA, Caffrey M, Gellman SH, Steyaert J, Skiniotis G, Weis WI, Sunahara RK, Kobilka BK | 10.1038/NATURE10361 | 2011-07-20 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4A4M | 4A4M_refined | 3.3 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Deupi X, Edwards P, Singhal A, Nickle B, Oprian D, Schertler G, Standfuss J | 10.1073/PNAS.1114089108 | 2012-01-25 | Yes | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A | Human | X-ray | 3V2W | - | 3.4 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
W146
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | dihydrosphingosine 1-phosphate, sphingosine 1-phosphate, sphingosylphosphorylcholine | small-molecule | Yes | No | Hanson MA, Roth CB, Jo E, Griffith MT, Scott FL, Reinhart G, Desale H, Clemons B, Cahalan SM, Schuerer SC, Sanna MG, Han GW, Kuhn P, Rosen H, Stevens RC | 10.1126/SCIENCE.1215904 | 2012-02-15 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3UZC | 3UZC_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
CHEMBL2024114
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Congreve M, Andrews SP, Dore AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH | 10.1021/JM201376W | 2012-03-21 | Yes | |
OPRX | NOP | Opioid | A | Human | X-ray | 4EA3 | 4EA3_refined | 3.0 | A | Inactive | 5 | 75 | - | - | - | - | BRIL | - |
compound 24 [PMID: 16451050]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Thompson AA, Liu W, Chun E, Katritch V, Wu H, Vardy E, Huang XP, Trapella C, Guerrini R, Calo G, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE11085 | 2012-04-25 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4GRV | 4GRV_refined | 2.8 | A | Active | 83 | 69 | - | - | - | - | T4-Lysozyme | - |
JMV431
Guide To Pharmacology
ChEMBL_compound_ids
PubChem
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | White JF, Noinaj N, Shibata Y, Love J, Kloss B, Xu F, Gvozdenovic-Jeremic J, Shah P, Shiloach J, Tate CG, Grisshammer R | 10.1038/NATURE11558 | 2012-10-17 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4GPO | 4GPO_refined | 3.5 | B | Inactive | 0 | 58 | - | - | - | - | - | - | - | - | - | - | - | Yes | No | Huang J, Chen S, Zhang JJ, Huang XY | 10.1038/NSMB.2504 | 2013-02-27 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 3ZPQ | 3ZPQ_refined | 2.8 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
CHEMBL200234
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | - | - | Yes | Yes | Christopher JA, Brown J, Dore AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M | 10.1021/JM400140Q | 2013-04-03 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4BEY | 4BEY_refined | 2.9 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Singhal A, Ostermaier MK, Vishnivetskiy SA, Panneels V, Homan KT, Tesmer JJ, Veprintsev D, Deupi X, Gurevich VV, Schertler GF, Standfuss J | 10.1038/EMBOR.2013.44 | 2013-05-08 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 4MBS | 4MBS_refined | 2.7 | A | Inactive | 12 | 83 | - | - | - | - | Rubredoxin | - |
maraviroc
PubChem
Guide To Pharmacology
DrugBank
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Antagonist | CCL2, CCL4, CCL11, CCL7, CCL8, CCL5, CCL14, CCL16, CCL3, CCL13 | peptide | No | No | Tan Q, Zhu Y, Li J, Chen Z, Han GW, Kufareva I, Li T, Ma L, Fenalti G, Li J, Zhang W, Xie X, Yang H, Jiang H, Cherezov V, Liu H, Stevens RC, Zhao Q, Wu B | 10.1126/SCIENCE.1241475 | 2013-09-11 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4J4Q | 4J4Q_refined | 2.7 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Octylglucoside
PubChem
|
small-molecule | unknown | - | - | No | No | Park JH, Morizumi T, Li Y, Hong JE, Pai EF, Hofmann KP, Choe HW, Ernst OP | 10.1002/ANIE.201302374 | 2013-10-30 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 4N6H | 4N6H_refined | 1.8 | A | Inactive | 5 | 81 | - | - | - | - | BRIL | - |
naltrindole
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Antagonist | [Leu]enkephalin, dynorphin A, dynorphin A-(1-8), dynorphin A-(1-13), endomorphin-1, dynorphin B, β-endorphin | peptide | Yes | Yes | Fenalti G, Giguere PM, Katritch V, Huang XP, Thompson AA, Cherezov V, Roth BL, Stevens RC | 10.1038/NATURE12944 | 2013-12-25 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BV0 | - | 3.1 | A | Inactive | 2 | 70 | - | - | - | - | - | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schutz M, Pluckthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4NTJ | 4NTJ_refined | 2.6 | A | Intermediate | 36 | 78 | - | - | - | - | BRIL | - |
AZD1283
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | ATP, ADP | small-molecule | Yes | No | Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Muller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q | 10.1038/NATURE13083 | 2014-03-26 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 4PHU | 4PHU_refined | 2.3 | A | Intermediate | 46 | 90 | - | - | - | - | T4-Lysozyme | - |
fasiglifam
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | oleic acid, α-linolenic acid, docosahexaenoic acid, myristic acid | small-molecule | No | No | Srivastava A, Yano J, Hirozane Y, Kefala G, Gruswitz F, Snell G, Lane W, Ivetac A, Aertgeerts K, Nguyen J, Jennings A, Okada K | 10.1038/NATURE13494 | 2014-07-16 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4PXF | 4PXF_refined | 2.8 | A | Active | 100 | 93 | Visual | S-arrestin | Fragment | 2 | - | - |
B-Octylglucoside
PubChem
|
small-molecule | unknown | - | - | No | No | Szczepek M, Beyriere F, Hofmann KP, Elgeti M, Kazmin R, Rose A, Bartl FJ, von Stetten D, Heck M, Sommer ME, Hildebrand PW, Scheerer P | 10.1038/NCOMMS5801 | 2014-09-17 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U16 | 4U16_refined | 3.7 | B | Inactive | 3 | 47 | - | - | - | - | T4-Lysozyme | - |
N-methyl scopolamine
PubChem
Guide To Pharmacology
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Thorsen TS, Matt R, Weis WI, Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | Yes | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 4RWS | 4RWS_refined | 3.1 | A | Inactive | 5 | 78 | - | - | - | - | T4-Lysozyme | - |
viral macrophage inflammatory protein-II
PubChem
Guide To Pharmacology
|
peptide | Antagonist | CXCL12β, CXCL12φ, CXCL12, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12α | peptide | Yes | No | Qin L, Kufareva I, Holden LG, Wang C, Zheng Y, Zhao C, Fenalti G, Wu H, Han GW, Cherezov V, Abagyan R, Stevens RC, Handel TM | 10.1126/SCIENCE.1261064 | 2015-02-11 | Yes | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 4YAY | 4YAY_refined | 2.9 | A | Inactive | 5 | 79 | - | - | - | - | BRIL | - |
ZD-7155
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | angiotensin III, angiotensin IV, angiotensin II, angiotensin A | peptide | Yes | No | Zhang H, Unal H, Gati C, Han GW, Liu W, Zatsepin NA, James D, Wang D, Nelson G, Weierstall U, Sawaya MR, Xu Q, Messerschmidt M, Williams GJ, Boutet S, Yefanov OM, White TA, Wang C, Ishchenko A, Tirupula KC, Desnoyer R, Coe J, Conrad CE, Fromme P, Stevens RC, Katritch V, Karnik SS, Cherezov V | 10.1016/J.CELL.2015.04.011 | 2015-04-22 | Yes | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 4WW3 | 4WW3_refined | 2.8 | A | Inactive | 13 | 78 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1371/JOURNAL.PONE.0126970 | 2015-06-17 | Yes | |
OPRM | μ | Opioid | A | Mouse | X-ray | 5C1M | 5C1M_refined | 2.1 | A | Active | 100 | 74 | - | - | - | - | - | Antibody |
BU72
Guide To Pharmacology
PubChem
|
small-molecule | Agonist | - | - | Yes | No | Huang W, Manglik A, Venkatakrishnan AJ, Laeremans T, Feinberg EN, Sanborn AL, Kato HE, Livingston KE, Thorsen TS, Kling RC, Granier S, Gmeiner P, Husbands SM, Traynor JR, Weis WI, Steyaert J, Dror RO, Kobilka BK | 10.1038/NATURE14886 | 2015-08-05 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 5A8E | 5A8E_refined | 2.4 | A | Inactive | 0 | 59 | - | - | - | - | - | - |
7-methylcyanopindolol
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | Yes | Sato T, Baker J, Warne T, Brown GA, Leslie AG, Congreve M, Tate CG | 10.1124/MOL.115.101030 | 2015-09-30 | Yes | |
OPRX | NOP | Opioid | A | Human | X-ray | 5DHG | 5DHG_refined | 3.0 | A | Inactive | 5 | 76 | - | - | - | - | BRIL | - |
CHEMBL1783826
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Miller RL, Thompson AA, Trapella C, Guerrini R, Malfacini D, Patel N, Han GW, Cherezov V, Calo G, Katritch V, Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D5A | 5D5A_refined | 2.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
PubChem
|
small-molecule | Inverse agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Huang CY, Olieric V, Ma P, Howe N, Vogeley L, Liu X, Warshamanage R, Weinert T, Panepucci E, Kobilka B, Diederichs K, Wang M, Caffrey M | 10.1107/S2059798315021683 | 2016-01-13 | Yes | |
ACM4 | M4 | Acetylcholine (muscarinic) | A | Human | X-ray | 5DSG | 5DSG_refined | 2.6 | B | Inactive | 3 | 60 | - | - | - | - | T4-Lysozyme | - |
tiotropium
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | - | - | 2016-03-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IU4 | 5IU4_refined | 1.7 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Dore AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IUA | 5IUA_refined | 2.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
2-(Furan-2-yl)-5-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-8-ium-5,7-diamine
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Dore AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5L7I | 5L7I_refined | 3.3 | B | Inactive | 4 | 59 | - | - | - | - | BRIL | - |
vismodegib
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | - | - | No | No | Byrne EFX, Sircar R, Miller PS, Hedger G, Luchetti G, Nachtergaele S, Tully MD, Mydock-McGrane L, Covey DF, Rambo RP, Sansom MSP, Newstead S, Rohatgi R, Siebold C | 10.1038/NATURE18934 | 2016-07-20 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5GLH | 5GLH_refined | 2.8 | A | Inactive | 13 | 66 | - | - | - | - | T4-Lysozyme | - |
ENDOTHELIN
ChEMBL_compound_ids
PubChem
|
protein | Agonist | endothelin-2, endothelin-3, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Okuta A, Tani K, Dohmae N, Fujiyoshi Y, Nureki O, Doi T | 10.1038/nature19319 | 2016-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2D | 5K2D_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
CCR2 | CCR2 | Chemokine | A | Human | X-ray | 5T1A | 5T1A_refined | 2.8 | A | Inactive | 13 | 76 | - | - | - | - | T4-Lysozyme | - |
CCR2-RA-[R]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
BMS-681 PubChem Guide To Pharmacology ChEMBL_compound_ids |
small-molecule small-molecule |
Allosteric antagonist Antagonist |
CCL11, CCL2, CCL7, CCL8, CCL16, CCL24, CCL13, CCL26 | peptide | No | No | Zheng Y, Qin L, Zacarias NV, de Vries H, Han GW, Gustavsson M, Dabros M, Zhao C, Cherney RJ, Carter P, Stamos D, Abagyan R, Cherezov V, Stevens RC, IJzerman AP, Heitman LH, Tebben A, Kufareva I, Handel TM | 10.1038/NATURE20605 | 2016-12-14 | Yes | |
AA1R | A1 | Adenosine | A | Human | X-ray | 5UEN | 5UEN_refined | 3.2 | B | Inactive | 1 | 91 | - | - | - | - | BRIL | - |
DU172
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Glukhova A, Thal DM, Nguyen AT, Vecchio EA, Jorg M, Scammells PJ, May LT, Sexton PM, Christopoulos A | 10.1016/j.cell.2017.01.042 | 2017-03-01 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNH | 5UNH_refined | 2.9 | B | Active | 99 | 75 | - | - | - | - | BRIL | - |
compound 2 [PMID: 28379944]
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | angiotensin III, angiotensin II, angiotensin-(1-7) | peptide | Yes | No | Zhang H, Han GW, Batyuk A, Ishchenko A, White KL, Patel N, Sadybekov A, Zamlynny B, Rudd MT, Hollenstein K, Tolstikova A, White TA, Hunter MS, Weierstall U, Liu W, Babaoglu K, Moore EL, Katz RD, Shipman JM, Garcia-Calvo M, Sharma S, Sheth P, Soisson SM, Stevens RC, Katritch V, Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 5VEX | 5VEX_refined | 3.0 | B | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
NNC0640
PubChem
Guide To Pharmacology
|
small-molecule | NAM | glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide, glucagon | peptide | No | No | Song G, Yang D, Wang Y, de Graaf C, Zhou Q, Jiang S, Liu K, Cai X, Dai A, Lin G, Liu D, Wu F, Wu Y, Zhao S, Ye L, Han GW, Lau J, Wu B, Hanson MA, Liu ZJ, Wang MW, Stevens RC | 10.1038/NATURE22378 | 2017-05-17 | Yes | |
G1SGD4 | GLP-1 | Glucagon | B1 | Rabbit | cryo-EM | 5VAI | 5VAI_refined | 4.1 | R | Active | 100 | 84 | Gs | αs | - | 59 | - | - |
GLP-1
PubChem
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | - | - | No | No | Zhang Y, Sun B, Feng D, Hu H, Chu M, Qu Q, Tarrasch JT, Li S, Sun Kobilka T, Kobilka BK, Skiniotis G | 10.1038/NATURE22394 | 2017-05-24 | Yes | |
APJ | apelin | Apelin | A | Human | X-ray | 5VBL | 5VBL_refined | 2.6 | B | Inactive | 5 | 79 | - | - | - | - | Rubredoxin | - |
AMG3054
Guide To Pharmacology
|
peptide | Agonist | apelin receptor early endogenous ligand, Elabela/Toddler-11, Elabela/Toddler-21, apelin-17, [Pyr1]apelin-13, apelin-13, apelin-36, Elabela/Toddler-32 | peptide | Yes | No | Ma Y, Yue Y, Ma Y, Zhang Q, Zhou Q, Song Y, Shen Y, Li X, Ma X, Li C, Hanson MA, Han GW, Sickmier EA, Swaminath G, Zhao S, Stevens RC, Hu LA, Zhong W, Zhang M, Xu F | 10.1016/J.STR.2017.04.008 | 2017-05-31 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 5UIW | 5UIW_refined | 2.2 | A | Inactive | 12 | 85 | - | - | - | - | Rubredoxin | - |
5P7-CCL5
|
protein | Antagonist | CCL2, CCL4, CCL11, CCL7, CCL8, CCL5, CCL14, CCL16, CCL3, CCL13 | peptide | No | No | Zheng Y, Han GW, Abagyan R, Wu B, Stevens RC, Cherezov V, Kufareva I, Handel TM | 10.1016/J.IMMUNI.2017.05.002 | 2017-06-28 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 5TUD | 5TUD_refined | 3.0 | D | Active | 92 | 58 | - | - | - | - | BRIL | Antibody |
ergotamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Ishchenko A, Wacker D, Kapoor M, Zhang A, Han GW, Basu S, Patel N, Messerschmidt M, Weierstall U, Liu W, Katritch V, Roth BL, Stevens RC, Cherezov V | 10.1073/PNAS.1700891114 | 2017-07-26 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5XPR | 5XPR_refined | 3.6 | A | Inactive | 4 | 69 | - | - | - | - | T4-Lysozyme | - | - | - | - | endothelin-2, endothelin-3, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Yamashita K, Inoue A, Hirata K, Kadji FMN, Okuta A, Tani K, Aoki J, Fujiyoshi Y, Doi T, Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5NM2 | 5NM2_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Weinert T, Olieric N, Cheng R, Brunle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Dore AS, Geng T, Cooke RM, Liang M, Prota AE, Panneels V, Nogly P, Ermler U, Schertler G, Hennig M, Steinmetz MO, Wang M, Standfuss J | 10.1038/S41467-017-00630-4 | 2017-09-27 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 5WQC | 5WQC_refined | 2.0 | A | Inactive | 1 | 68 | - | - | - | - | Glycogen synthase | - |
EMPA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | Yes | No | Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T | 10.1016/J.STR.2017.11.005 | 2017-11-29 | Yes | |
C5AR1 | C5a1 | Complement peptide | A | Human | X-ray | 5O9H | 5O9H_refined | 2.7 | A | Inactive | 6 | 84 | - | - | - | - | - | - |
NDT9513727
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | C3a, C5a des-Arg, ribosomal protein S19, C5a | peptide | Yes | No | Robertson N, Rappas M, Dore AS, Brown J, Bottegoni G, Koglin M, Cansfield J, Jazayeri A, Cooke RM, Marshall FH | 10.1038/NATURE25025 | 2018-01-10 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLO | 5OLO_refined | 3.1 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
tozadenant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OM4 | 5OM4_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
CHEMBL2024114
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
5HT2C | 5-HT2C | 5-Hydroxytryptamine | A | Human | X-ray | 6BQG | 6BQG_refined | 3.0 | A | Active | 92 | 62 | - | - | - | - | BRIL | - |
ergotamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Peng Y, McCorvy JD, Harpsoe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang XP, Wu Y, Shen L, Bjorn-Yoshimoto WE, Ding K, Wacker D, Han GW, Cheng J, Katritch V, Jensen AA, Hanson MA, Zhao S, Gloriam DE, Roth BL, Stevens RC, Liu ZJ | 10.1016/j.cell.2018.01.001 | 2018-02-14 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | cryo-EM | 6B3J | 6B3J_refined | 3.3 | R | Active | 100 | 82 | Gs | αs | - | 49 | - | - |
Exendin-P5
|
peptide | Agonist | glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide, glucagon | peptide | No | No | Liang YL, Khoshouei M, Glukhova A, Furness SGB, Zhao P, Clydesdale L, Koole C, Truong TT, Thal DM, Lei S, Radjainia M, Danev R, Baumeister W, Wang MW, Miller LJ, Christopoulos A, Sexton PM, Wootten D | 10.1038/NATURE25773 | 2018-02-21 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FKA | 6FKA_refined | 2.7 | A | Active | 99 | 94 | - | - | - | - | - | - |
(2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
PubChem
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
NPY1R | Y1 | Neuropeptide Y | A | Human | X-ray | 5ZBH | 5ZBH_refined | 3.0 | A | Inactive | 1 | 78 | - | - | - | - | T4-Lysozyme | - |
BMS-193885
PubChem
|
small-molecule | Antagonist | neuropeptide Y, pancreatic polypeptide, peptide YY | peptide | Yes | No | Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kogler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | |
Q98SW5 | SMO | Frizzled | F | African clawed frog | X-ray | 6D32 | 6D32_refined | 3.8 | A | Active | 87 | 58 | - | - | - | - | BRIL | - |
cyclopamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist (partial) | - | - | No | No | Huang P, Zheng S, Wierbowski BM, Kim Y, Nedelcu D, Aravena L, Liu J, Kruse AC, Salic A | 10.1016/J.CELL.2018.04.029 | 2018-05-23 | Yes | |
Q80KM9 | US28 | Unclassified | A | strain AD169 | X-ray | 5WB1 | 5WB1_refined | 3.5 | A | Active | 100 | 82 | - | - | - | - | - | Nanobody | - | - | - | - | - | Yes | No | Miles TF, Spiess K, Jude KM, Tsutsumi N, Burg JS, Ingram JR, Waghray D, Hjorto GM, Larsen O, Ploegh HL, Rosenkilde MM, Garcia KC | 10.7554/ELIFE.35850 | 2018-06-13 | Yes | |
OPRM | μ | Opioid | A | Mouse | cryo-EM | 6DDF | 6DDF_refined | 3.5 | R | Active | 100 | 71 | Gi/o | αi1 | - | 61 | - | - |
DAMGO
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
ChEMBL_compound_ids
|
peptide | Agonist | - | - | Yes | No | Koehl A, Hu H, Maeda S, Zhang Y, Qu Q, Paggi JM, Latorraca NR, Hilger D, Dawson R, Matile H, Schertler GFX, Granier S, Weis WI, Dror RO, Manglik A, Skiniotis G, Kobilka BK | 10.1038/S41586-018-0219-7 | 2018-06-13 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | cryo-EM | 6G79 | 6G79_refined | 3.8 | S | Active | 100 | 67 | Gi/o | αo | - | 59 | - | - |
donitriptan
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist | 5-hydroxytryptamine, 5-HT-moduline, tryptamine | small-molecule | Yes | No | Garcia-Nafria J, Nehme R, Edwards PC, Tate CG | 10.1038/S41586-018-0241-9 | 2018-06-20 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 6DRY | 6DRY_refined | 2.9 | A | Intermediate | 36 | 60 | - | - | - | - | BRIL | - |
methylergonovine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | McCorvy JD, Wacker D, Wang S, Agegnehu B, Liu J, Lansu K, Tribo AR, Olsen RHJ, Che T, Jin J, Roth BL | 10.1038/s41594-018-0116-7 | 2018-08-29 | Yes | |
PD2R2 | DP2 | Prostanoid | A | Human | X-ray | 6D26 | 6D26_refined | 2.8 | A | Inactive | 19 | 82 | - | - | - | - | T4-Lysozyme | - |
fevipiprant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | PGI2, PGD2, PGE2, PGJ2, thromboxane A2, PGF2α, PGD3 | small-molecule | Yes | No | Wang L, Yao D, Deepak RNVK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C | 10.1016/J.MOLCEL.2018.08.009 | 2018-10-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7J | 6H7J_refined | 2.8 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb80 |
(R)-Isoproterenol
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Edwards PC, Dore AS, Leslie AGW, Tate CG | 10.1126/SCIENCE.AAU5595 | 2018-10-17 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7N | 6H7N_refined | 2.5 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 |
(S)-Xamoterol
PubChem
|
small-molecule | Agonist | - | - | Yes | No | - | 10.1101/436212 | 2018-10-17 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6MXT | 6MXT_refined | 3.0 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody-71 |
salmeterol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Masureel M, Zou Y, Picard LP, van der Westhuizen E, Mahoney JP, Rodrigues JPGLM, Mildorf TJ, Dror RO, Shaw DE, Bouvier M, Pardon E, Steyaert J, Sunahara RK, Weis WI, Zhang C, Kobilka BK | 10.1038/s41589-018-0145-x | 2018-11-14 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 5ZKC | 5ZKC_refined | 2.3 | A | Inactive | 3 | 60 | - | - | - | - | BRIL | - |
N-methyl scopolamine
PubChem
Guide To Pharmacology
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 6IGL | 6IGL_refined | 2.7 | A | Inactive | 4 | 70 | - | - | - | - | T4-Lysozyme | - |
IRL 1620
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
PubChem
PubChem
|
peptide | Agonist (partial) | endothelin-2, endothelin-3, endothelin-1 | peptide | Yes | No | Shihoya W, Izume T, Inoue A, Yamashita K, Kadji FMN, Hirata K, Aoki J, Nishizawa T, Nureki O | 10.1038/S41467-018-07094-0 | 2018-11-21 | Yes | |
PE2R3 | EP3 | Prostanoid | A | Human | X-ray | 6AK3 | 6AK3_refined | 2.9 | B | Active | 83 | 69 | - | - | - | - | BRIL | - |
PGE2
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
Guide To Pharmacology
|
small-molecule | Agonist | PGI2, PGE1, PGD2, PGE2, thromboxane A2, PGF2α | small-molecule | Yes | No | Morimoto K, Suno R, Hotta Y, Yamashita K, Hirata K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T | 10.1038/S41589-018-0171-8 | 2018-12-05 | Yes | |
TA2R | TP | Prostanoid | A | Human | X-ray | 6IIU | 6IIU_refined | 2.5 | A | Intermediate | 46 | 87 | - | - | - | - | Rubredoxin | - |
ramatroban
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | PGI2, PGD2, PGE2, PGH2, thromboxane A2, PGF2α | small-molecule | No | No | Fan H, Chen S, Yuan X, Han S, Zhang H, Xia W, Xu Y, Zhao Q, Wu B | 10.1038/S41589-018-0170-9 | 2018-12-19 | Yes | |
CCR2 | CCR2 | Chemokine | A | Human | X-ray | 6GPS | 6GPS_refined | 3.3 | A | Inactive | 12 | 74 | - | - | - | - | Rubredoxin | - |
MK-0812
PubChem
|
small-molecule | Antagonist | CCL11, CCL2, CCL7, CCL8, CCL16, CCL24, CCL13, CCL26 | peptide | No | No | Apel AK, Cheng RKY, Tautermann CS, Brauchle M, Huang CY, Pautsch A, Hennig M, Nar H, Schnapp G | 10.1016/J.STR.2018.10.027 | 2019-01-02 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6IBL | 6IBL_refined | 2.7 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb80 |
arformoterol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | - | - | Yes | No | - | 10.1101/436212 | 2019-01-09 | Yes | |
NK1R | NK1 | Tachykinin | A | Human | X-ray | 6HLP | 6HLP_refined | 2.2 | A | Inactive | 1 | 71 | - | - | - | - | GlgA glycogen synthase | - |
netupitant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | hemokinin 1, neurokinin A, neurokinin B, substance P, neuropeptide-γ, neuropeptide K | peptide | Yes | No | Schoppe J, Ehrenmann J, Klenk C, Rucktooa P, Schutz M, Dore AS, Pluckthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | cryo-EM | 6N52 | 6N52_refined | 4.0 | A | Inactive | 29 | 64 | - | - | - | - | - | Nanobody-43 | - | - | - | L-glutamic acid | small-molecule | No | No | - | - | 2019-01-23 | Yes | |
CALCR | CT | Calcitonin | B1 | Human | cryo-EM | 6NIY | 6NIY_refined | 3.3 | R | Active | 100 | 55 | Gs | αs | - | 43 | - | - |
Calcitonin salmon
PubChem
|
peptide | Agonist | calcitonin (salmon), adrenomedullin, calcitonin, adrenomedullin 2/intermedin, β-CGRP, α-CGRP, amylin | peptide | No | No | Dal Maso E, Glukhova A, Zhu Y, Garcia-Nafria J, Tate CG, Atanasio S, Reynolds CA, Ramirez-Aportela E, Carazo JM, Hick CA, Furness SGB, Hay DL, Liang YL, Miller LJ, Christopoulos A, Wang MW, Wootten D, Sexton PM | 10.1021/ACSPTSCI.8B00056 | 2019-01-23 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | cryo-EM | 6N4B | 6N4B_refined | 3.0 | R | Active | 100 | 58 | Gi/o | αi1 | - | 62 | - | scFv16 |
MDMB-Fubinaca
PubChem
Guide To Pharmacology
|
small-molecule | Agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Krishna Kumar K, Shalev-Benami M, Robertson MJ, Hu H, Banister SD, Hollingsworth SA, Latorraca NR, Kato HE, Hilger D, Maeda S, Weis WI, Farrens DL, Dror RO, Malhotra SV, Kobilka BK, Skiniotis G | 10.1016/J.CELL.2018.11.040 | 2019-01-30 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A | Human | X-ray | 6A94 | 6A94_refined | 2.9 | A | Inactive | 1 | 60 | - | - | - | - | BRIL | - |
zotepine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | 5-hydroxytryptamine, tryptamine | small-molecule | No | No | Kimura KT, Asada H, Inoue A, Kadji FMN, Im D, Mori C, Arakawa T, Hirata K, Nomura Y, Nomura N, Aoki J, Iwata S, Shimamura T | 10.1038/S41594-018-0180-Z | 2019-02-13 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 | Human | cryo-EM | 6NBF | 6NBF_refined | 3.0 | R | Active | 100 | 62 | Gs | αs | - | 58 | - | Nanobody-35 |
Long-acting parathyroid hormone analog
|
peptide | Agonist | PTH, PTHrP-(1-36), PTHrP, TIP39 | peptide | No | No | Zhao LH, Ma S, Sutkeviciute I, Shen DD, Zhou XE, de Waal PW, Li CY, Kang Y, Clark LJ, Jean-Alphonse FG, White AD, Yang D, Dai A, Cai X, Chen J, Li C, Jiang Y, Watanabe T, Gardella TJ, Melcher K, Wang MW, Vilardaga JP, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 | Human | cryo-EM | 6NBI | 6NBI_refined | 4.0 | R | Active | 100 | 62 | Gs | αs | - | 56 | - | Nanobody-35 |
Long-acting parathyroid hormone analog
|
peptide | Agonist | PTH, PTHrP-(1-36), PTHrP, TIP39 | peptide | No | No | Zhao LH, Ma S, Sutkeviciute I, Shen DD, Zhou XE, de Waal PW, Li CY, Kang Y, Clark LJ, Jean-Alphonse FG, White AD, Yang D, Dai A, Cai X, Chen J, Li C, Jiang Y, Watanabe T, Gardella TJ, Melcher K, Wang MW, Vilardaga JP, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
MTR1A | MT1 | Melatonin | A | Human | X-ray | 6ME4 | 6ME4_refined | 3.2 | A | Inactive | 1 | 83 | - | - | - | - | GlgA glycogen synthase | - |
2-iodo-melatonin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1B | MT2 | Melatonin | A | Human | X-ray | 6ME6 | 6ME6_refined | 2.8 | B | Inactive | 1 | 78 | - | - | - | - | Rubredoxin | - |
2-phenylmelatonin
PubChem
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V | 10.1038/S41586-019-1144-0 | 2019-04-24 | Yes | |
MTR1B | MT2 | Melatonin | A | Human | X-ray | 6ME8 | 6ME8_refined | 3.1 | B | Inactive | 1 | 78 | - | - | - | - | Rubredoxin | - |
2-phenylmelatonin
PubChem
|
small-molecule | Agonist | melatonin | small-molecule | Yes | No | Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V | 10.1038/S41586-019-1144-0 | 2019-04-24 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6MH8 | 6MH8_refined | 4.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Martin-Garcia JM, Zhu L, Mendez D, Lee MY, Chun E, Li C, Hu H, Subramanian G, Kissick D, Ogata C, Henning R, Ishchenko A, Dobson Z, Zhang S, Weierstall U, Spence JCH, Fromme P, Zatsepin NA, Fischetti RF, Cherezov V, Liu W | 10.1107/S205225251900263X | 2019-04-24 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | cryo-EM | 6OIK | 6OIK_refined | 3.6 | R | Active | 100 | 60 | Gi/o | αo | - | 61 | - | - |
iperoxo
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
LY2119620 PubChem Guide To Pharmacology ChEMBL_compound_ids |
small-molecule small-molecule |
Agonist PAM |
acetylcholine | small-molecule | Yes | No | Maeda S, Qu Q, Robertson MJ, Skiniotis G, Kobilka BK | 10.1126/SCIENCE.AAW5188 | 2019-05-08 | Yes | |
SMO | SMO | Frizzled | F | Human | cryo-EM | 6OT0 | - | 3.9 | R | Active | 100 | 46 | Gi/o | αi1 | - | 100 | - | Fab light chain Fab heavy chain |
24,25-Epoxy-cholesterol
PubChem
|
small-molecule | Agonist | - | - | No | No | Qi X, Liu H, Thompson B, McDonald J, Zhang C, Li X | 10.1038/S41586-019-1286-0 | 2019-06-12 | Yes | |
SMO | SMO | Frizzled | F | Mouse | X-ray | 6O3C | 6O3C_refined | 2.8 | A | Active | 94 | 61 | - | - | - | - | - | Nanobody-Smo8 |
SAG21k
PubChem
|
small-molecule | Agonist | - | - | No | No | Deshpande I, Liang J, Hedeen D, Roberts KJ, Zhang Y, Ha B, Latorraca NR, Faust B, Dror RO, Beachy PA, Myers BR, Manglik A | 10.1038/S41586-019-1355-4 | 2019-07-03 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6QNO | 6QNO_refined | 4.4 | R | Active | 100 | 96 | Gi/o | αi1 | - | 60 | - | Fab antibody fragment light chain Fab antibody fragment heavy chain |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Tsai CJ, Marino J, Adaixo R, Pamula F, Muehle J, Maeda S, Flock T, Taylor NM, Mohammed I, Matile H, Dawson RJ, Deupi X, Stahlberg H, Schertler G | 10.7554/ELIFE.46041 | 2019-07-10 | Yes | |
SUCR1 | succinate | Succinate | A | Rat | X-ray | 6RNK | 6RNK_refined | 1.9 | A | Intermediate | 36 | 90 | - | - | - | - | - | Nanobody-6 |
NF-56-EJ40
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | Yes | No | Haffke M, Fehlmann D, Rummel G, Boivineau J, Duckely M, Gommermann N, Cotesta S, Sirockin F, Freuler F, Littlewood-Evans A, Kaupmann K, Jaakola VP | 10.1038/S41586-019-1663-8 | 2019-08-14 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6JZH | 6JZH_refined | 2.3 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Shimazu Y, Tono K, Tanaka T, Yamanaka Y, Nakane T, Mori C, Terakado Kimura K, Fujiwara T, Sugahara M, Tanaka R, Doak RB, Shimamura T, Iwata S, Nango E, Yabashi M | 10.1107/S1600576719012846 | 2019-10-30 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 6KK1 | 6KK1_refined | 2.8 | B | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
PF-06372222
PubChem
|
small-molecule | NAM | glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide, glucagon | peptide | No | No | Xu Y, Wang Y, Wang Y, Liu K, Peng Y, Yao D, Tao H, Liu H, Song G | 10.1107/S2052252519013496 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS1 | 6PS1_refined | 3.2 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
timolol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS5 | 6PS5_refined | 2.9 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
(-)-propranolol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | cryo-EM | 6NI3 | 6NI3_refined | 3.8 | R | Active | 100 | 69 | Gs | αs | - | 59 | - | Nanobody-35 |
BI-167107
PubChem
|
small-molecule | Agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Nguyen AH, Thomsen ARB, Cahill TJ 3rd, Huang R, Huang LY, Marcink T, Clarke OB, Heissel S, Masoudi A, Ben-Hail D, Samaan F, Dandey VP, Tan YZ, Hong C, Mahoney JP, Triest S, Little J 4th, Chen X, Sunahara R, Steyaert J, Molina H, Yu Z, des Georges A, Lefkowitz RJ | 10.1038/S41594-019-0330-Y | 2019-11-20 | Yes | |
ACM5 | M5 | Acetylcholine (muscarinic) | A | Human | X-ray | 6OL9 | 6OL9_refined | 2.5 | A | Inactive | 3 | 53 | - | - | - | - | T4-Lysozyme | - |
tiotropium
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
|
small-molecule | Inverse agonist | acetylcholine | small-molecule | No | No | Vuckovic Z, Gentry PR, Berizzi AE, Hirata K, Varghese S, Thompson G, van der Westhuizen ET, Burger WAC, Rahmani R, Valant C, Langmead CJ, Lindsley CW, Baell JB, Tobin AB, Sexton PM, Christopoulos A, Thal DM | 10.1073/PNAS.1914446116 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A | Human | X-ray | 6RZ7 | 6RZ7_refined | 2.4 | A | Intermediate | 36 | 79 | - | - | - | - | BRIL | - |
ONO-2570366
Guide To Pharmacology
PubChem
|
small-molecule | Antagonist | LTC4, LTD4, LTE4 | small-molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy E, Longpre JM, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TOD | 6TOD_refined | 2.1 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
EMPA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 6TPG | 6TPG_refined | 2.7 | A | Inactive | 1 | 69 | - | - | - | - | GlgA glycogen synthase | - |
EMPA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TQ4 | 6TQ4_refined | 2.3 | B | Inactive | 1 | 70 | - | - | - | - | - | - |
CHEMBL4590386
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | cryo-EM | 6ORV | - | 3.0 | E | Active | 100 | 61 | Gs | αs | - | 48 | - | Nanobody-35 |
CHEMBL3950796
ChEMBL_compound_ids
PubChem
|
small-molecule | Agonist | glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide, glucagon | peptide | No | No | Zhao P, Liang YL, Belousoff MJ, Deganutti G, Fletcher MM, Willard FS, Bell MG, Christe ME, Sloop KW, Inoue A, Truong TT, Clydesdale L, Furness SGB, Christopoulos A, Wang MW, Miller LJ, Reynolds CA, Danev R, Sexton PM, Wootten D | 10.1038/s41586-019-1902-z | 2020-01-08 | Yes | |
APJ | apelin | Apelin | A | Human | X-ray | 6KNM | 6KNM_refined | 3.2 | B | Inactive | 5 | 78 | - | - | - | - | Rubredoxin | - |
Single domain antibody JN241
|
protein | Agonist | apelin receptor early endogenous ligand, Elabela/Toddler-11, Elabela/Toddler-21, apelin-17, [Pyr1]apelin-13, apelin-13, apelin-36, Elabela/Toddler-32 | peptide | Yes | No | Ma Y, Ding Y, Song X, Ma X, Li X, Zhang N, Song Y, Sun Y, Shen Y, Zhong W, Hu LA, Ma Y, Zhang MY | 10.1126/SCIADV.AAX7379 | 2020-01-29 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6NWE | 6NWE_refined | 2.7 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Octylglucoside
PubChem
|
small-molecule | unknown | - | - | No | No | - | - | 2020-02-12 | Yes | |
CRFR2 | CRF2 | Corticotropin-releasing factor | B1 | Human | cryo-EM | 6PB1 | 6PB1_refined | 2.8 | P | Active | 100 | 68 | Gs | αs | - | 58 | - | Nanobody-35 |
CHEMBL427807
ChEMBL_compound_ids
PubChem
|
protein | Agonist | urocortin 2, urocortin 1, corticotrophin-releasing hormone, urocortin 3 | peptide | No | No | Ma S, Shen Q, Zhao LH, Mao C, Zhou XE, Shen DD, de Waal PW, Bi P, Li C, Jiang Y, Wang MW, Sexton PM, Wootten D, Melcher K, Zhang Y, Xu HE | 10.1016/J.MOLCEL.2020.01.013 | 2020-02-12 | Yes | |
GPR52 | GPR52 | A orphans | A | Human | X-ray | 6LI1 | 6LI1_refined | 2.9 | A | Inactive | 32 | 81 | - | - | - | - | Flavodoxin | - | - | - | - | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han GW, Li S, Yue Y, Wei X, Xie X, Chen Y, Zhao S, Wu J, Lei M, Xu F | 10.1038/S41586-020-2019-0 | 2020-02-26 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3DQB | 3DQB_refined | 3.2 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Scheerer P, Park JH, Hildebrand PW, Kim YJ, Krauss N, Choe HW, Hofmann KP, Ernst OP | 10.1038/NATURE07330 | 2008-09-23 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NY9 | 3NY9_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1233771
ChEMBL_compound_ids
PubChem
|
small-molecule | Inverse agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3OE6 | - | 3.2 | A | Inactive | 5 | 77 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12β, CXCL12φ, CXCL12, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3OE9 | - | 3.1 | A | Inactive | 5 | 74 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12β, CXCL12φ, CXCL12, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y04 | 2Y04_refined | 3.1 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
levosalbutamol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Agonist (partial) | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3PQR | 3PQR_refined | 2.9 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP | 10.1038/NATURE09789 | 2011-03-09 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2X72 | 2X72_refined | 3.0 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Standfuss J, Edwards PC, D'Antona A, Fransen M, Xie G, Oprian DD, Schertler GF | 10.1038/NATURE09795 | 2011-03-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 2YDV | 2YDV_refined | 2.6 | A | Active | 73 | 75 | - | - | - | - | - | - |
NECA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AG, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCY | - | 3.2 | A | Inactive | 0 | 60 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-08 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 3AYN | - | 2.7 | B | Inactive | 13 | 77 | - | - | - | - | - | - |
Retinal (9-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3RFM | 3RFM_refined | 3.6 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
caffeine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Dore AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3VGA | - | 3.1 | A | Inactive | 1 | 72 | - | - | - | - | - | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Hino T, Arakawa T, Iwanari H, Yurugi-Kobayashi T, Ikeda-Suno C, Nakada-Nakura Y, Kusano-Arai O, Weyand S, Shimamura T, Nomura N, Cameron AD, Kobayashi T, Hamakubo T, Iwata S, Murata T | 10.1038/NATURE10750 | 2012-02-01 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3UZA | 3UZA_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
compound 4g [PMID: 22220592]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Congreve M, Andrews SP, Dore AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH | 10.1021/JM201376W | 2012-03-21 | Yes | |
OPRM | μ | Opioid | A | Mouse | X-ray | 4DKL | 4DKL_refined | 2.8 | A | Inactive | 5 | 71 | - | - | - | - | T4-Lysozyme | - |
Methyl 4-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoate
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Manglik A, Kruse AC, Kobilka TS, Thian FS, Mathiesen JM, Sunahara RK, Pardo L, Weis WI, Kobilka BK, Granier S | 10.1038/NATURE10954 | 2012-03-21 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4AMJ | 4AMJ_refined | 2.3 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
(S)-Carvedilol
PubChem
ChEMBL_compound_ids
|
small-molecule | Inverse agonist | - | - | Yes | No | Warne T, Edwards PC, Leslie AG, Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | |
PAR1 | PAR1 | Proteinase-activated | A | Human | X-ray | 3VW7 | 3VW7_refined | 2.2 | A | Intermediate | 36 | 66 | - | - | - | - | T4-Lysozyme | - |
vorapaxar
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | thrombin | peptide | Yes | No | Zhang C, Srinivasan Y, Arlow DH, Fung JJ, Palmer D, Zheng Y, Green HF, Pandey A, Dror RO, Shaw DE, Weis WI, Coughlin SR, Kobilka BK | 10.1038/NATURE11701 | 2012-12-12 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 4IB4 | 4IB4_refined | 2.7 | A | Intermediate | 36 | 59 | - | - | - | - | BRIL | - |
ergotamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Wacker D, Wang C, Katritch V, Han GW, Huang XP, Vardy E, McCorvy JD, Jiang Y, Chu M, Siu FY, Liu W, Xu HE, Cherezov V, Roth BL, Stevens RC | 10.1126/science.1232808 | 2013-03-13 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4JKV | 4JKV_refined | 2.5 | A | Inactive | 0 | 44 | - | - | - | - | BRIL | - |
taladegib
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | - | - | No | No | Wang C, Wu H, Katritch V, Han GW, Huang XP, Liu W, Siu FY, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE12167 | 2013-04-24 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4LDL | 4LDL_refined | 3.1 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
hydroxybenzylisoproterenol
PubChem
|
small-molecule | Agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Ring AM, Manglik A, Kruse AC, Enos MD, Weis WI, Garcia KC, Kobilka BK | 10.1038/NATURE12572 | 2013-09-25 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 4MQT | 4MQT_refined | 3.7 | A | Active | 100 | 59 | - | - | - | - | - | Nanobody |
iperoxo
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
LY2119620 PubChem Guide To Pharmacology ChEMBL_compound_ids |
small-molecule small-molecule |
Agonist PAM |
acetylcholine | small-molecule | Yes | No | Kruse AC, Ring AM, Manglik A, Hu J, Hu K, Eitel K, Hubner H, Pardon E, Valant C, Sexton PM, Christopoulos A, Felder CC, Gmeiner P, Steyaert J, Weis WI, Garcia KC, Wess J, Kobilka BK | 10.1038/NATURE12735 | 2013-11-27 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 3ZEV | - | 3.0 | A | Inactive | 2 | 72 | - | - | - | - | - | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schutz M, Pluckthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
SMO | SMO | Frizzled | F | Human | X-ray | 4O9R | 4O9R_refined | 3.2 | A | Inactive | 12 | 42 | - | - | - | - | BRIL | - |
cyclopamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | No | No | Weierstall U, James D, Wang C, White TA, Wang D, Liu W, Spence JC, Bruce Doak R, Nelson G, Fromme P, Fromme R, Grotjohann I, Kupitz C, Zatsepin NA, Liu H, Basu S, Wacker D, Han GW, Katritch V, Boutet S, Messerschmidt M, Williams GJ, Koglin JE, Marvin Seibert M, Klinker M, Gati C, Shoeman RL, Barty A, Chapman HN, Kirian RA, Beyerlein KR, Stevens RC, Li D, Shah ST, Howe N, Caffrey M, Cherezov V | 10.1038/NCOMMS4309 | 2014-03-05 | Yes | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4PXZ | 4PXZ_refined | 2.5 | A | Intermediate | 36 | 84 | - | - | - | - | BRIL | - |
2MeSADP
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Agonist | ATP, ADP | small-molecule | Yes | No | Zhang J, Zhang K, Gao ZG, Paoletta S, Zhang D, Han GW, Li T, Ma L, Zhang W, Muller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q | 10.1038/NATURE13288 | 2014-04-30 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4QIM | 4QIM_refined | 2.6 | A | Inactive | 8 | 45 | - | - | - | - | BRIL | - |
ANTA XV
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang XP, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-07-23 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U14 | 4U14_refined | 3.6 | A | Inactive | 3 | 47 | - | - | - | - | T4-Lysozyme | - |
tiotropium
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Thorsen TS, Matt R, Weis WI, Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 4RWD | 4RWD_refined | 2.7 | A | Inactive | 5 | 79 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | [Leu]enkephalin, dynorphin A, dynorphin A-(1-8), dynorphin A-(1-13), endomorphin-1, dynorphin B, β-endorphin | peptide | Yes | Yes | Fenalti G, Zatsepin NA, Betti C, Giguere P, Han GW, Ishchenko A, Liu W, Guillemyn K, Zhang H, James D, Wang D, Weierstall U, Spence JC, Boutet S, Messerschmidt M, Williams GJ, Gati C, Yefanov OM, White TA, Oberthuer D, Metz M, Yoon CH, Barty A, Chapman HN, Basu S, Coe J, Conrad CE, Fromme R, Fromme P, Tourwe D, Schiller PW, Roth BL, Ballet S, Katritch V, Stevens RC, Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | Yes | |
US28 | US28 | Unclassified | A | strain AD169 | X-ray | 4XT3 | 4XT3_refined | 3.8 | A | Active | 100 | 81 | - | - | - | - | - | - |
CX3CL1
Guide To Pharmacology
|
peptide | Agonist (partial) | - | - | Yes | No | Burg JS, Ingram JR, Venkatakrishnan AJ, Jude KM, Dukkipati A, Feinberg EN, Angelini A, Waghray D, Dror RO, Ploegh HL, Garcia KC | 10.1126/SCIENCE.AAA5026 | 2015-03-04 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 4UG2 | 4UG2_refined | 2.6 | A | Active | 73 | 71 | - | - | - | - | - | - |
CGS 21680
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Edwards PC, Leslie AG, Tate CG | 10.1124/mol.114.097360 | 2015-04-08 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A | Human | X-ray | 4Z36 | 4Z36_refined | 2.9 | A | Inactive | 1 | 79 | - | - | - | - | BRIL | - |
ONO-3080573
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | 1-O-Oleoyl-D-glycerol 3-phosphoric acid | small-molecule | Yes | No | Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
OPSD | Rhodopsin | Opsins | A | Human | X-ray | 4ZWJ | 4ZWJ_refined | 3.3 | A | Active | 100 | 94 | Visual | S-arrestin | - | 86 | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Kang Y, Zhou XE, Gao X, He Y, Liu W, Ishchenko A, Barty A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Ke J, Tan MH, Zhang C, Moeller A, West GM, Pascal BD, Van Eps N, Caro LN, Vishnivetskiy SA, Lee RJ, Suino-Powell KM, Gu X, Pal K, Ma J, Zhi X, Boutet S, Williams GJ, Messerschmidt M, Gati C, Zatsepin NA, Wang D, James D, Basu S, Roy-Chowdhury S, Conrad CE, Coe J, Liu H, Lisova S, Kupitz C, Grotjohann I, Fromme R, Jiang Y, Tan M, Yang H, Li J, Wang M, Zheng Z, Li D, Howe N, Zhao Y, Standfuss J, Diederichs K, Dong Y, Potter CS, Carragher B, Caffrey M, Jiang H, Chapman HN, Spence JC, Fromme P, Weierstall U, Ernst OP, Katritch V, Gurevich VV, Griffin PR, Hubbell WL, Stevens RC, Cherezov V, Melcher K, Xu HE | 10.1038/NATURE14656 | 2015-07-29 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4X1H | 4X1H_refined | 2.3 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Nonylglucoside
PubChem
|
small-molecule | unknown | - | - | No | No | Blankenship E, Vahedi-Faridi A, Lodowski DT | 10.1016/J.STR.2015.09.015 | 2015-11-04 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 4ZJ8 | 4ZJ8_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | GlgA glycogen synthase | - |
suvorexant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM | 10.1038/NSMB.3183 | 2016-03-09 | Yes | |
OPSD | Rhodopsin | Opsins | A | Human | X-ray | 5DGY | 5DGY_refined | 7.7 | A | Active | 100 | 94 | Visual | S-arrestin | - | 86 | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Zhou XE, Gao X, Barty A, Kang Y, He Y, Liu W, Ishchenko A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Suino-Powell KM, Boutet S, Williams GJ, Wang M, Li D, Caffrey M, Chapman HN, Spence JC, Fromme P, Weierstall U, Stevens RC, Cherezov V, Melcher K, Xu HE | 10.1038/SDATA.2016.21 | 2016-03-23 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5JQH | 5JQH_refined | 3.2 | A | Inactive | 0 | 70 | - | - | - | - | T4-Lysozyme | Nanobody |
Carazolol
PubChem
|
small-molecule | Inverse agonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Staus DP, Strachan RT, Manglik A, Pani B, Kahsai AW, Kim TH, Wingler LM, Ahn S, Chatterjee A, Masoudi A, Kruse AC, Pardon E, Steyaert J, Weis WI, Prosser RS, Kobilka BK, Costa T, Lefkowitz RJ | 10.1038/NATURE18636 | 2016-07-13 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5DYS | 5DYS_refined | 2.3 | A | Active | 99 | 94 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Singhal A, Guo Y, Matkovic M, Schertler G, Deupi X, Yan EC, Standfuss J | 10.15252/EMBR.201642671 | 2016-08-10 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5GLI | 5GLI_refined | 2.5 | A | Inactive | 4 | 71 | - | - | - | - | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | endothelin-2, endothelin-3, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Okuta A, Tani K, Dohmae N, Fujiyoshi Y, Nureki O, Doi T | 10.1038/nature19319 | 2016-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2C | 5K2C_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5U09 | 5U09_refined | 2.6 | A | Inactive | 8 | 60 | - | - | - | - | Glycogen synthase | - |
taranabant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Inverse agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Shao Z, Yin J, Chapman K, Grzemska M, Clark L, Wang J, Rosenbaum DM | 10.1038/NATURE20613 | 2016-12-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5UIG | 5UIG_refined | 3.5 | A | Inactive | 16 | 70 | - | - | - | - | BRIL | - |
5-Amino-N-[(2-Methoxyphenyl)methyl]-2-(3-Methylphenyl)-2h-1,2,3-Triazole-4-Carboximidamide
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Sun B, Bachhawat P, Chu ML, Wood M, Ceska T, Sands ZA, Mercier J, Lebon F, Kobilka TS, Kobilka BK | 10.1073/PNAS.1621423114 | 2017-02-08 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNF | 5UNF_refined | 2.8 | A | Active | 99 | 79 | - | - | - | - | BRIL | - |
compound 1 [PMID: 28379944]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | angiotensin III, angiotensin II, angiotensin-(1-7) | peptide | Yes | No | Zhang H, Han GW, Batyuk A, Ishchenko A, White KL, Patel N, Sadybekov A, Zamlynny B, Rudd MT, Hollenstein K, Tolstikova A, White TA, Hunter MS, Weierstall U, Liu W, Babaoglu K, Moore EL, Katz RD, Shipman JM, Garcia-Calvo M, Sharma S, Sheth P, Soisson SM, Stevens RC, Katritch V, Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A | Human | X-ray | 5NDZ | 5NDZ_refined | 3.6 | A | Intermediate | 36 | 74 | - | - | - | - | BRIL | - |
AZ3451
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Allosteric antagonist | - | - | Yes | Yes | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Dore AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundstrom L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5UVI | 5UVI_refined | 3.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Martin-Garcia JM, Conrad CE, Nelson G, Stander N, Zatsepin NA, Zook J, Zhu L, Geiger J, Chun E, Kissick D, Hilgart MC, Ogata C, Ishchenko A, Nagaratnam N, Roy-Chowdhury S, Coe J, Subramanian G, Schaffer A, James D, Ketwala G, Venugopalan N, Xu S, Corcoran S, Ferguson D, Weierstall U, Spence JCH, Cherezov V, Fromme P, Fischetti RF, Liu W | 10.1107/S205225251700570X | 2017-05-24 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5V57 | 5V57_refined | 3.0 | A | Inactive | 1 | 62 | - | - | - | - | Flavodoxin | - |
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
PubChem
|
small-molecule | Antagonist | - | - | No | No | Zhang X, Zhao F, Wu Y, Yang J, Han GW, Zhao S, Ishchenko A, Ye L, Lin X, Ding K, Dharmarajan V, Griffin PR, Gati C, Nelson G, Hunter MS, Hanson MA, Cherezov V, Stevens RC, Tan W, Tao H, Xu F | 10.1038/NCOMMS15383 | 2017-05-24 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5JTB | 5JTB_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Melnikov I, Polovinkin V, Kovalev K, Gushchin I, Shevtsov M, Shevchenko V, Mishin A, Alekseev A, Rodriguez-Valera F, Borshchevskiy V, Cherezov V, Leonard GA, Gordeliy V, Popov A | 10.1126/SCIADV.1602952 | 2017-05-31 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 5TZY | 5TZY_refined | 3.2 | A | Intermediate | 46 | 91 | - | - | - | - | T4-Lysozyme | - |
MK-8666
PubChem
(2S,3R)-3-Cyclopropyl-3-[(2R)-2-[1-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid PubChem |
small-molecule small-molecule |
Agonist PAM |
oleic acid, α-linolenic acid, docosahexaenoic acid, myristic acid | small-molecule | No | No | Lu J, Byrne N, Wang J, Bricogne G, Brown FK, Chobanian HR, Colletti SL, Di Salvo J, Thomas-Fowlkes B, Guo Y, Hall DL, Hadix J, Hastings NB, Hermes JD, Ho T, Howard AD, Josien H, Kornienko M, Lumb KJ, Miller MW, Patel SB, Pio B, Plummer CW, Sherborne BS, Sheth P, Souza S, Tummala S, Vonrhein C, Webb M, Allen SJ, Johnston JM, Weinglass AB, Sharma S, Soisson SM | 10.1038/NSMB.3417 | 2017-06-07 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5XRA | 5XRA_refined | 2.8 | A | Active | 97 | 60 | - | - | - | - | Flavodoxin | - |
AM11542
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Hua T, Vemuri K, Nikas SP, Laprairie RB, Wu Y, Qu L, Pu M, Korde A, Jiang S, Ho JH, Han GW, Ding K, Li X, Liu H, Hanson MA, Zhao S, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ | 10.1038/NATURE23272 | 2017-07-12 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5N2R | 5N2R_refined | 2.8 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
PSB36
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Cheng RKY, Segala E, Robertson N, Deflorian F, Dore AS, Errey JC, Fiez-Vandal C, Marshall FH, Cooke RM | 10.1016/j.str.2017.06.012 | 2017-07-26 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5X93 | 5X93_refined | 2.2 | A | Inactive | 4 | 71 | - | - | - | - | T4-Lysozyme | - |
K-8794
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | endothelin-2, endothelin-3, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Yamashita K, Inoue A, Hirata K, Kadji FMN, Okuta A, Tani K, Aoki J, Fujiyoshi Y, Doi T, Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | |
Q08BG4 | LPA6 | Lysophospholipid (LPA) | A | Zebrafish | X-ray | 5XSZ | 5XSZ_refined | 3.2 | A | Intermediate | 36 | 78 | - | - | - | - | T4-Lysozyme | - | - | - | - | - | - | Yes | No | Taniguchi R, Inoue A, Sayama M, Uwamizu A, Yamashita K, Hirata K, Yoshida M, Tanaka Y, Kato HE, Nakada-Nakura Y, Otani Y, Nishizawa T, Doi T, Ohwada T, Ishitani R, Aoki J, Nureki O | 10.1038/NATURE23448 | 2017-08-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5NM4 | 5NM4_refined | 1.7 | A | Inactive | 1 | 73 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Weinert T, Olieric N, Cheng R, Brunle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Dore AS, Geng T, Cooke RM, Liang M, Prota AE, Panneels V, Nogly P, Ermler U, Schertler G, Hennig M, Steinmetz MO, Wang M, Standfuss J | 10.1038/S41467-017-00630-4 | 2017-09-27 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5VRA | 5VRA_refined | 2.4 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Broecker J, Morizumi T, Ou WL, Klingel V, Kuo A, Kissick DJ, Ishchenko A, Lee MY, Xu S, Makarov O, Cherezov V, Ogata CM, Ernst OP | 10.1038/NPROT.2017.135 | 2017-12-13 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6AQF | 6AQF_refined | 2.5 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Eddy MT, Lee MY, Gao ZG, White KL, Didenko T, Horst R, Audet M, Stanczak P, McClary KM, Han GW, Jacobson KA, Stevens RC, Wuthrich K | 10.1016/J.CELL.2017.12.004 | 2018-01-10 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLV | 5OLV_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
CHEMBL1671936
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 5YQZ | 5YQZ_refined | 3.0 | R | Inactive | 3 | 83 | - | - | - | - | T4-Lysozyme | - |
NNC1702
Guide To Pharmacology
|
peptide | Agonist (partial) | glucagon | peptide | No | No | Zhang H, Qiao A, Yang L, Van Eps N, Frederiksen KS, Yang D, Dai A, Cai X, Zhang H, Yi C, Cao C, He L, Yang H, Lau J, Ernst OP, Hanson MA, Stevens RC, Wang MW, Reedtz-Runge S, Jiang H, Zhao Q, Wu B | 10.1038/NATURE25153 | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5WF6 | 5WF6_refined | 2.9 | A | Active | 73 | 68 | - | - | - | - | T4-Lysozyme | - |
UK-432,097
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | adenosine | small-molecule | No | No | White KL, Eddy MT, Gao ZG, Han GW, Lian T, Deary A, Patel N, Jacobson KA, Katritch V, Stevens RC | 10.1016/J.STR.2017.12.013 | 2018-02-21 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 6FFI | - | 2.2 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
methoxy-MPEP
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Christopher JA, Orgovan Z, Congreve M, Dore AS, Errey JC, Marshall FH, Mason JS, Okrasa K, Rucktooa P, Serrano-Vega MJ, Ferenczy GG, Keseru GM | 10.1021/ACS.JMEDCHEM.7B01722 | 2018-03-07 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FK7 | 6FK7_refined | 2.6 | A | Active | 99 | 94 | - | - | - | - | - | - |
(2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
PubChem
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FKB | 6FKB_refined | 3.0 | A | Active | 99 | 94 | - | - | - | - | - | - |
2-(4-Chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
PubChem
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
NPY1R | Y1 | Neuropeptide Y | A | Human | X-ray | 5ZBQ | 5ZBQ_refined | 2.7 | A | Inactive | 1 | 80 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3747822
ChEMBL_compound_ids
ChEMBL_compound_ids
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | neuropeptide Y, pancreatic polypeptide, peptide YY | peptide | Yes | No | Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kogler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | |
Q98SW5 | SMO | Frizzled | F | African clawed frog | X-ray | 6D35 | 6D35_refined | 3.9 | A | Active | 87 | 58 | - | - | - | - | BRIL | - |
Cholesterol
PubChem
|
small-molecule | Agonist | - | - | No | No | Huang P, Zheng S, Wierbowski BM, Kim Y, Nedelcu D, Aravena L, Liu J, Kruse AC, Salic A | 10.1016/J.CELL.2018.04.029 | 2018-05-23 | Yes | |
OPRM | μ | Opioid | A | Mouse | cryo-EM | 6DDE | 6DDE_refined | 3.5 | R | Active | 100 | 71 | Gi/o | αi1 | - | 61 | - | Antibody |
DAMGO
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
ChEMBL_compound_ids
|
peptide | Agonist | - | - | Yes | No | Koehl A, Hu H, Maeda S, Zhang Y, Qu Q, Paggi JM, Latorraca NR, Hilger D, Dawson R, Matile H, Schertler GFX, Granier S, Weis WI, Dror RO, Manglik A, Skiniotis G, Kobilka BK | 10.1038/S41586-018-0219-7 | 2018-06-13 | Yes | |
PTAFR | PAF | Platelet-activating factor | A | Human | X-ray | 5ZKQ | 5ZKQ_refined | 2.9 | B | Intermediate | 36 | 83 | - | - | - | - | T4-Lysozyme | - |
ABT-491
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Inverse agonist | PAF, methylcarbamyl PAF | small-molecule | Yes | No | Cao C, Tan Q, Xu C, He L, Yang L, Zhou Y, Zhou Y, Qiao A, Lu M, Yi C, Han GW, Wang X, Li X, Yang H, Rao Z, Jiang H, Zhao Y, Liu J, Stevens RC, Zhao Q, Zhang XC, Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5XJM | 5XJM_refined | 3.2 | A | Active | 99 | 78 | - | - | - | - | BRIL | Fab |
SI
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | angiotensin III, angiotensin II, angiotensin-(1-7) | peptide | Yes | No | Asada H, Horita S, Hirata K, Shiroishi M, Shiimura Y, Iwanari H, Hamakubo T, Shimamura T, Nomura N, Kusano-Arai O, Uemura T, Suno C, Kobayashi T, Iwata S | 10.1038/S41594-018-0079-8 | 2018-07-11 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 6DS0 | 6DS0_refined | 3.2 | A | Intermediate | 36 | 59 | - | - | - | - | BRIL | - |
LY266097
PubChem
|
small-molecule | Antagonist | 5-hydroxytryptamine | small-molecule | Yes | No | McCorvy JD, Wacker D, Wang S, Agegnehu B, Liu J, Lansu K, Tribo AR, Olsen RHJ, Che T, Jin J, Roth BL | 10.1038/s41594-018-0116-7 | 2018-08-29 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FUF | 6FUF_refined | 3.1 | A | Active | 100 | 91 | Gi/o | αo | Mini-Go | 51 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Tsai CJ, Pamula F, Nehme R, Muhle J, Weinert T, Flock T, Nogly P, Edwards PC, Carpenter B, Gruhl T, Ma P, Deupi X, Standfuss J, Tate CG, Schertler GFX | 10.1126/SCIADV.AAT7052 | 2018-10-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7M | 6H7M_refined | 2.8 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 |
levosalbutamol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Edwards PC, Dore AS, Leslie AGW, Tate CG | 10.1126/SCIENCE.AAU5595 | 2018-10-17 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 6AKY | 6AKY_refined | 2.8 | A | Inactive | 12 | 81 | - | - | - | - | Rubredoxin | - |
CCR5 antagonist 34
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CCL2, CCL4, CCL11, CCL7, CCL8, CCL5, CCL14, CCL16, CCL3, CCL13 | peptide | No | No | Peng P, Chen H, Zhu Y, Wang Z, Li J, Luo RH, Wang J, Chen L, Yang LM, Jiang H, Xie X, Wu B, Zheng YT, Liu H | 10.1021/ACS.JMEDCHEM.8B01077 | 2018-10-24 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 5YC8 | 5YC8_refined | 2.5 | A | Inactive | 3 | 60 | - | - | - | - | BRIL | - |
N-methyl scopolamine
PubChem
Guide To Pharmacology
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 5ZKB | 5ZKB_refined | 3.0 | A | Inactive | 3 | 60 | - | - | - | - | BRIL | - |
AF-DX 384
PubChem
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 5ZHP | 5ZHP_refined | 3.1 | B | Inactive | 3 | 47 | - | - | - | - | T4-Lysozyme | - |
(1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
PubChem
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Liu H, Hofmann J, Fish I, Schaake B, Eitel K, Bartuschat A, Kaindl J, Rampp H, Banerjee A, Hubner H, Clark MJ, Vincent SG, Fisher JT, Heinrich MR, Hirata K, Liu X, Sunahara RK, Shoichet BK, Kobilka BK, Gmeiner P | 10.1073/PNAS.1813988115 | 2018-11-28 | Yes | |
PE2R3 | EP3 | Prostanoid | A | Human | X-ray | 6M9T | 6M9T_refined | 2.5 | A | Active | 83 | 70 | - | - | - | - | T4-Lysozyme | - |
Misoprostol-FA
PubChem
|
small-molecule | Agonist | PGI2, PGE1, PGD2, PGE2, thromboxane A2, PGF2α | small-molecule | Yes | No | Audet M, White KL, Breton B, Zarzycka B, Han GW, Lu Y, Gati C, Batyuk A, Popov P, Velasquez J, Manahan D, Hu H, Weierstall U, Liu W, Shui W, Katritch V, Cherezov V, Hanson MA, Stevens RC | 10.1038/S41589-018-0160-Y | 2018-12-05 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | cryo-EM | 6MET | 6MET_refined | 4.5 | B | Inactive | 13 | 89 | - | - | - | - | - | T-cell surface glycoprotein CD4 |
Envelope glycoprotein gp160
|
protein | Antagonist | CCL2, CCL4, CCL11, CCL7, CCL8, CCL5, CCL14, CCL16, CCL3, CCL13 | peptide | No | No | Shaik MM, Peng H, Lu J, Rits-Volloch S, Xu C, Liao M, Chen B | 10.1038/S41586-018-0804-9 | 2018-12-12 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 6K1Q | 6K1Q_refined | 2.7 | A | Inactive | 4 | 68 | - | - | - | - | T4-Lysozyme | - |
IRL 2500
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
peptide | Inverse agonist | endothelin-2, endothelin-3, endothelin-1 | peptide | Yes | No | Nagiri C, Shihoya W, Inoue A, Kadji FMN, Aoki J, Nureki O | 10.1038/S42003-019-0482-7 | 2019-07-17 | Yes | |
SUCR1 | succinate | Succinate | A | Rat | X-ray | 6IBB | 6IBB_refined | 2.1 | A | Intermediate | 36 | 93 | - | - | - | - | - | Nanobody-6 | - | - | - | - | - | Yes | No | Haffke M, Fehlmann D, Rummel G, Boivineau J, Duckely M, Gommermann N, Cotesta S, Sirockin F, Freuler F, Littlewood-Evans A, Kaupmann K, Jaakola VP | 10.1038/S41586-019-1663-8 | 2019-08-14 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6OFJ | 6OFJ_refined | 4.5 | A | Inactive | 22 | 93 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Zhao DY, Poge M, Morizumi T, Gulati S, Van Eps N, Zhang J, Miszta P, Filipek S, Mahamid J, Plitzko JM, Baumeister W, Ernst OP, Palczewski K | 10.1074/JBC.RA119.010089 | 2019-08-21 | Yes | |
CLTR1 | CysLT1 | Leukotriene | A | Human | X-ray | 6RZ4 | 6RZ4_refined | 2.7 | A | Intermediate | 36 | 85 | - | - | - | - | BRIL | - |
pranlukast
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | LTC4, LTD4, LTE4 | small-molecule | Yes | Yes | Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy E, Longpre JM, Lyapina E, Ishchenko A, Patel N, Polovinkin V, Safronova N, Bogorodskiy A, Edelweiss E, Hu H, Weierstall U, Liu W, Batyuk A, Gordeliy V, Han GW, Sarret P, Katritch V, Borshchevskiy V, Cherezov V | 10.1126/SCIADV.AAX2518 | 2019-10-30 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 6KK7 | 6KK7_refined | 3.1 | B | Inactive | 0 | 56 | - | - | - | - | T4-Lysozyme | - |
PF-06372222
PubChem
|
small-molecule | NAM | glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide, glucagon | peptide | No | No | Xu Y, Wang Y, Wang Y, Liu K, Peng Y, Yao D, Tao H, Liu H, Song G | 10.1107/S2052252519013496 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS2 | 6PS2_refined | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1160734
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS6 | 6PS6_refined | 2.7 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
timolol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | noradrenaline, L-NOREPINEPHRINE, Zn2+, (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
DRD4 | D4 | Dopamine | A | Mouse | X-ray | 6IQL | 6IQL_refined | 3.5 | A | Inactive | 83 | 65 | - | - | - | - | BRIL | - |
L745870
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | Yes | No | Zhou Y, Cao C, He L, Wang X, Zhang XC | 10.7554/ELIFE.48822 | 2019-12-04 | Yes | |
ADA2A | α2A | Adrenoceptors | A | Human | X-ray | 6KUY | 6KUY_refined | 3.2 | A | Inactive | 1 | 56 | - | - | - | - | BRIL | - |
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
PubChem
|
small-molecule | Agonist (partial) | (-)-adrenaline, (-)-noradrenaline | small-molecule | Yes | No | - | - | 2019-12-04 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 6PT3 | 6PT3_refined | 3.3 | A | Active | 73 | 78 | - | - | - | - | BRIL | - |
DPI-287
PubChem
|
small-molecule | Agonist | [Leu]enkephalin, dynorphin A, dynorphin A-(1-8), dynorphin A-(1-13), endomorphin-1, dynorphin B, β-endorphin | peptide | No | No | Claff T, Yu J, Blais V, Patel N, Martin C, Wu L, Han GW, Holleran BJ, Van der Poorten O, White KL, Hanson MA, Sarret P, Gendron L, Cherezov V, Katritch V, Ballet S, Liu ZJ, Muller CE, Stevens RC | 10.1126/SCIADV.AAX9115 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A | Human | X-ray | 6RZ9 | 6RZ9_refined | 2.7 | A | Intermediate | 36 | 81 | - | - | - | - | BRIL | - |
ONO-2770372
PubChem
|
small-molecule | Antagonist | LTC4, LTD4, LTE4 | small-molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy E, Longpre JM, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TP4 | 6TP4_refined | 3.0 | A | Inactive | 1 | 70 | - | - | - | - | - | - |
ACT-462206
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 6TPJ | 6TPJ_refined | 2.7 | A | Inactive | 1 | 68 | - | - | - | - | GlgA glycogen synthase | - |
suvorexant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TQ9 | 6TQ9_refined | 2.7 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
SB-408124
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TOT | 6TOT_refined | 2.2 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
lemborexant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-15 | Yes | |
CNR2 | CB2 | Cannabinoid | A | Human | X-ray | 6KPC | 6KPC_refined | 3.2 | A | Inactive | 8 | 79 | - | - | - | - | T4-Lysozyme | - |
AM841
PubChem
Guide To Pharmacology
|
small-molecule | Agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Hua T, Li X, Wu L, Iliopoulos-Tsoutsouvas C, Wang Y, Wu M, Shen L, Brust CA, Nikas SP, Song F, Song X, Yuan S, Sun Q, Wu Y, Jiang S, Grim TW, Benchama O, Stahl EL, Zvonok N, Zhao S, Bohn LM, Makriyannis A, Liu ZJ | 10.1016/J.CELL.2020.01.008 | 2020-02-12 | Yes | |
CNR2 | CB2 | Cannabinoid | A | Human | cryo-EM | 6KPF | 6KPF_refined | 2.9 | R | Active | 100 | 81 | Gi/o | αi1 | - | 62 | - | scFv16 |
AM841
PubChem
Guide To Pharmacology
|
small-molecule | Agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Hua T, Li X, Wu L, Iliopoulos-Tsoutsouvas C, Wang Y, Wu M, Shen L, Brust CA, Nikas SP, Song F, Song X, Yuan S, Sun Q, Wu Y, Jiang S, Grim TW, Benchama O, Stahl EL, Zvonok N, Zhao S, Bohn LM, Makriyannis A, Liu ZJ | 10.1016/J.CELL.2020.01.008 | 2020-02-12 | Yes | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 | Human | cryo-EM | 6PB0 | 6PB0_refined | 3.0 | R | Active | 100 | 68 | Gs | αs | Gs-Gi1 chimera | 58 | - | Nanobody-35 |
CHEMBL427807
ChEMBL_compound_ids
PubChem
|
protein | Agonist | urocortin 2, corticotrophin-releasing hormone, urocortin 1 | peptide | No | No | Ma S, Shen Q, Zhao LH, Mao C, Zhou XE, Shen DD, de Waal PW, Bi P, Li C, Jiang Y, Wang MW, Sexton PM, Wootten D, Melcher K, Zhang Y, Xu HE | 10.1016/J.MOLCEL.2020.01.013 | 2020-02-12 | Yes | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 6OS2 | 6OS2_refined | 2.7 | A | Active | 91 | 85 | - | - | - | - | BRIL | Nanobody-Nb.AT110i1_le |
TRV026
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
peptide | Agonist | angiotensin III, angiotensin IV, angiotensin II, angiotensin A | peptide | Yes | No | Wingler LM, Skiba MA, McMahon C, Staus DP, Kleinhenz ALW, Suomivuori CM, Latorraca NR, Dror RO, Lefkowitz RJ, Kruse AC | 10.1126/SCIENCE.AAY9813 | 2020-02-19 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | cryo-EM | 6U1N | 6U1N_refined | 4.0 | R | Active | 100 | 57 | Beta | Beta-arrestin-1 | - | 86 | - | Fab30 light chain Fab30 heavy chain |
LY2119620
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist | acetylcholine | small-molecule | Yes | No | Staus DP, Hu H, Robertson MJ, Kleinhenz ALW, Wingler LM, Capel WD, Latorraca NR, Lefkowitz RJ, Skiniotis G | 10.1038/S41586-020-1954-0 | 2020-02-26 | Yes | |
ACM4 | M4 | Acetylcholine (muscarinic) | A | Human | X-ray | 6KP6 | 6KP6_refined | 3.0 | A | Inactive | 3 | 59 | - | - | - | - | GlgA glycogen synthase | - | - | - | - | acetylcholine | small-molecule | Yes | No | Wang J, Wu M, Wu L, Xu Y, Li F, Wu Y, Popov P, Wang L, Bai F, Zhao S, Liu ZJ, Hua T | 10.1107/S2052252520000597 | 2020-03-11 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 6LN2 | 6LN2_refined | 3.2 | A | Inactive | 0 | 83 | - | - | - | - | - | Fab7F38 light chain Fab7F38 heavy chain |
PF-06372222
PubChem
|
small-molecule | NAM | glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide, glucagon | peptide | No | No | Wu F, Yang L, Hang K, Laursen M, Wu L, Han GW, Ren Q, Roed NK, Lin G, Hanson MA, Jiang H, Wang MW, Reedtz-Runge S, Song G, Stevens RC | 10.1038/S41467-020-14934-5 | 2020-03-18 | Yes | |
OPRK | κ | Opioid | A | Human | X-ray | 6VI4 | 6VI4_refined | 3.3 | B | Inactive | 5 | 73 | - | - | - | - | - | Nanobody-6 |
JDTic
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | dynorphin A, dynorphin A-(1-8), dynorphin A-(1-13), β-neoendorphin, big dynorphin, dynorphin B, α-neoendorphin, β-endorphin | peptide | Yes | No | Che T, English J, Krumm BE, Kim K, Pardon E, Olsen RHJ, Wang S, Zhang S, Diberto JF, Sciaky N, Carroll FI, Steyaert J, Wacker D, Roth BL | 10.1038/S41467-020-14889-7 | 2020-03-18 | Yes | |
CALRL | calcitonin-like | Calcitonin | B1 | Human | cryo-EM | 6UUN | 6UUN_refined | 3.0 | R | Active | 100 | 77 | Gs | αs | - | 48 | - | Nanobody-35 RAMP2 |
Adrenomedullin
PubChem
|
peptide | Agonist | - | - | No | No | Liang YL, Belousoff MJ, Fletcher MM, Zhang X, Khoshouei M, Deganutti G, Koole C, Furness SGB, Miller LJ, Hay DL, Christopoulos A, Reynolds CA, Danev R, Wootten D, Sexton PM | 10.1021/ACSPTSCI.9B00080 | 2020-03-25 | Yes | |
CALRL | calcitonin-like | Calcitonin | B1 | Human | cryo-EM | 6UVA | 6UVA_refined | 2.3 | R | Active | 100 | 75 | Gs | αs | - | 48 | - | Nanobody-35 RAMP3 |
adrenomedullin 2/intermedin
Guide To Pharmacology
|
peptide | Agonist | - | - | No | No | Liang YL, Belousoff MJ, Fletcher MM, Zhang X, Khoshouei M, Deganutti G, Koole C, Furness SGB, Miller LJ, Hay DL, Christopoulos A, Reynolds CA, Danev R, Wootten D, Sexton PM | 10.1021/ACSPTSCI.9B00080 | 2020-04-01 | Yes | |
GABR2 | GABAB2 | GABAB | C | Human | cryo-EM | 6UOA | 6UOA_refined | 6.3 | B | Inactive | 3 | 71 | - | - | - | - | - | - |
CHEMBL112710
ChEMBL_compound_ids
PubChem
PubChem
|
small-molecule | Agonist | - | - | No | No | Shaye H, Ishchenko A, Lam JH, Han GW, Xue L, Rondard P, Pin JP, Katritch V, Gati C, Cherezov V | 10.1038/S41586-020-2408-4 | 2020-06-10 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6PEL | 6PEL_refined | 3.2 | A | Active | 100 | 93 | Gi/o | αt1 | Only H5 | 3 | - | - |
Citronellol
PubChem
|
small-molecule | unknown | - | - | No | No | - | - | 2020-06-24 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6PH7 | 6PH7_refined | 2.9 | A | Active | 100 | 94 | Gi/o | αt2 | Only H5 | 3 | - | - |
Nerol
PubChem
|
small-molecule | unknown | - | - | No | No | - | - | 2020-07-01 | Yes | |
GABR2 | GABAB2 | GABAB | C | Human | cryo-EM | 6WIV | 6WIV_refined | 3.3 | B | Inactive | 0 | 71 | - | - | - | - | - | - |
[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethylphosphate
PubChem
(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate PubChem |
small-molecule small-molecule |
NAM | - | - | No | No | Park J, Fu Z, Frangaj A, Liu J, Mosyak L, Shen T, Slavkovich VN, Ray KM, Taura J, Cao B, Geng Y, Zuo H, Kou Y, Grassucci R, Chen S, Liu Z, Lin X, Williams JP, Rice WJ, Eng ET, Huang RK, Soni RK, Kloss B, Yu Z, Javitch JA, Hendrickson WA, Slesinger PA, Quick M, Graziano J, Yu H, Fiehn O, Clarke OB, Frank J, Fan QR | 10.1038/S41586-020-2452-0 | 2020-07-01 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6S0L | 6S0L_refined | 2.7 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Nass K, Cheng R, Vera L, Mozzanica A, Redford S, Ozerov D, Basu S, James D, Knopp G, Cirelli C, Martiel I, Casadei C, Weinert T, Nogly P, Skopintsev P, Usov I, Leonarski F, Geng T, Rappas M, Dore AS, Cooke R, Nasrollahi Shirazi S, Dworkowski F, Sharpe M, Olieric N, Bacellar C, Bohinc R, Steinmetz MO, Schertler G, Abela R, Patthey L, Schmitt B, Hennig M, Standfuss J, Wang M, Milne CJ | 10.1107/S2052252520011379 | 2020-07-15 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6V9S | 6V9S_refined | 3.5 | A | Inactive | 1 | 72 | - | - | - | - | GlgA glycogen synthase | - |
JH112
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Hellmann J, Drabek M, Yin J, Gunera J, Proll T, Kraus F, Langmead CJ, Hubner H, Weikert D, Kolb P, Rosenbaum DM, Gmeiner P | 10.1073/PNAS.2002704117 | 2020-07-15 | Yes | |
OXYR | OT | Vasopressin and oxytocin | A | Human | X-ray | 6TPK | - | 3.2 | A | Inactive | 13 | 68 | - | - | - | - | GlgA glycogen synthase | - |
retosiban
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | oxytocin, vasopressin | peptide | Yes | No | Waltenspuhl Y, Schoppe J, Ehrenmann J, Kummer L, Pluckthun A | 10.1126/SCIADV.ABB5419 | 2020-08-05 | Yes | |
GHSR | ghrelin | Ghrelin | A | Human | X-ray | 6KO5 | 6KO5_refined | 3.3 | A | Inactive | 1 | 80 | - | - | - | - | BRIL | Fab7881 heavy chain Fab7881 light chain |
CHEMBL1956994 ChEMBL_compound_ids |