PDB
9LLI
Resolution
3.0 Å
Released
March 4, 2026
Receptor
D1
Class
A
Species
Homo sapiens
Ligands
GEM targeting TM1/2/4
flupentixol
GEM targeting TM3/4/5
GEM targeting TM5/6/7
Function
Unknown
Antagonist
Unknown
NAM
Reference
—
GEM targeting TM1/2/4 flupentixol GEM targeting TM3/4/5 GEM targeting TM5/6/7

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Ligand Amino Acid Generic Number Segment Interaction Type
GEM targeting TM1/2/4 I34 1.43x43 TM1 hydrophobic
GEM targeting TM1/2/4 L38 1.47x47 TM1 hydrophobic
GEM targeting TM1/2/4 A46 1.55x55 TM1 hydrophobic
GEM targeting TM1/2/4 I49 1.58x58 TM1 hydrophobic
GEM targeting TM1/2/4 F61 2.41x41 TM2 aromatic (face-to-face)
GEM targeting TM1/2/4 I64 2.44x44 TM2 hydrophobic
GEM targeting TM1/2/4 V68 2.48x48 TM2 hydrophobic
GEM targeting TM1/2/4 A74 2.54x54 TM2 hydrophobic
GEM targeting TM1/2/4 V75 2.55x55 TM2 hydrophobic
GEM targeting TM1/2/4 P79 2.59x58 TM2 hydrophobic
GEM targeting TM1/2/4 W80 2.60x59 TM2 aromatic (edge-to-face)
GEM targeting TM1/2/4 W80 2.60x59 TM2 Van der Waals
GEM targeting TM1/2/4 W80 2.60x59 TM2 polar (hydrogen bond)
flupentixol K81 2.61x60 TM2 polar (charge-assisted hydrogen bond)
GEM targeting TM1/2/4 V83 2.63x62 TM2 hydrophobic
GEM targeting TM1/2/4 V83 2.63x62 TM2 Van der Waals
GEM targeting TM1/2/4 I86 2.66x65 TM2 hydrophobic
GEM targeting TM1/2/4 I86 2.66x65 TM2 Van der Waals
GEM targeting TM1/2/4 A87 2.67x66 TM2 Van der Waals
GEM targeting TM1/2/4 A87 2.67x66 TM2 polar (hydrogen bond with backbone)
GEM targeting TM1/2/4 F89 23.49x49 ECL1 Van der Waals
GEM targeting TM1/2/4 F89 23.49x49 ECL1 hydrophobic
GEM targeting TM1/2/4 P91 23.51x51 ECL1 hydrophobic
GEM targeting TM1/2/4 P91 23.51x51 ECL1 Van der Waals
GEM targeting TM1/2/4 F92 23.52x52 ECL1 hydrophobic
GEM targeting TM1/2/4 F92 23.52x52 ECL1 Van der Waals
GEM targeting TM1/2/4 F95 3.24x24 TM3 Van der Waals
GEM targeting TM1/2/4 F95 3.24x24 TM3 hydrophobic
flupentixol W99 3.28x28 TM3 Van der Waals
GEM targeting TM1/2/4 F102 3.31x31 TM3 Van der Waals
flupentixol D103 3.32x32 TM3 polar (charge-assisted hydrogen bond)
flupentixol I104 3.33x33 TM3 Van der Waals
flupentixol I104 3.33x33 TM3 hydrophobic
flupentixol S107 3.36x36 TM3 Van der Waals
flupentixol T108 3.37x37 TM3 polar (hydrogen bond)
flupentixol I111 3.40x40 TM3 hydrophobic
GEM targeting TM3/4/5 V116 3.45x45 TM3 hydrophobic
GEM targeting TM3/4/5 V119 3.48x48 TM3 hydrophobic
GEM targeting TM3/4/5 Y122 3.51x51 TM3 hydrophobic
GEM targeting TM3/4/5 W123 3.52x52 TM3 hydrophobic
GEM targeting TM3/4/5 R133 34.55x55 ICL2 polar (charge-assisted hydrogen bond)
GEM targeting TM3/4/5 K134 34.56x56 ICL2 polar (charge-assisted hydrogen bond)
GEM targeting TM3/4/5 K134 34.56x56 ICL2 polar (hydrogen bond with backbone)
GEM targeting TM3/4/5 T136 4.38x38 TM4 Van der Waals
GEM targeting TM3/4/5 T136 4.38x38 TM4 polar (hydrogen bond)
GEM targeting TM3/4/5 T136 4.38x38 TM4 polar (hydrogen bond with backbone)
GEM targeting TM1/2/4 P137 4.39x39 TM4 hydrophobic
GEM targeting TM1/2/4 P137 4.39x39 TM4 Van der Waals
GEM targeting TM1/2/4 K138 4.40x40 TM4 Van der Waals
GEM targeting TM3/4/5 A139 4.41x41 TM4 hydrophobic
GEM targeting TM3/4/5 A139 4.41x41 TM4 Van der Waals
GEM targeting TM1/2/4 F141 4.43x43 TM4 Van der Waals
GEM targeting TM1/2/4 F141 4.43x43 TM4 hydrophobic
GEM targeting TM3/4/5 I142 4.44x44 TM4 Van der Waals
GEM targeting TM3/4/5 I142 4.44x44 TM4 hydrophobic
GEM targeting TM3/4/5 L143 4.45x45 TM4 Van der Waals
GEM targeting TM3/4/5 L143 4.45x45 TM4 hydrophobic
GEM targeting TM1/2/4 I144 4.46x46 TM4 Van der Waals
GEM targeting TM1/2/4 S145 4.47x47 TM4 Van der Waals
GEM targeting TM3/4/5 S145 4.47x47 TM4 Van der Waals
GEM targeting TM3/4/5 V146 4.48x48 TM4 hydrophobic
GEM targeting TM3/4/5 V146 4.48x48 TM4 Van der Waals
GEM targeting TM1/2/4 W148 4.50x50 TM4 Van der Waals
GEM targeting TM1/2/4 W148 4.50x50 TM4 aromatic (face-to-edge)
GEM targeting TM3/4/5 T149 4.51x51 TM4 Van der Waals
GEM targeting TM3/4/5 L150 4.52x52 TM4 hydrophobic
GEM targeting TM3/4/5 L150 4.52x52 TM4 Van der Waals
GEM targeting TM3/4/5 L153 4.55x55 TM4 Van der Waals
GEM targeting TM3/4/5 L153 4.55x55 TM4 hydrophobic
GEM targeting TM3/4/5 I154 4.56x56 TM4 hydrophobic
GEM targeting TM3/4/5 I154 4.56x56 TM4 Van der Waals
GEM targeting TM3/4/5 I157 4.59x59 TM4 hydrophobic
GEM targeting TM3/4/5 I157 4.59x59 TM4 Van der Waals
GEM targeting TM3/4/5 P158 4.60x60 TM4 Van der Waals
GEM targeting TM3/4/5 P158 4.60x60 TM4 polar (hydrogen bond with backbone)
GEM targeting TM3/4/5 Q160 4.62x62 TM4 polar (hydrogen bond)
GEM targeting TM3/4/5 Y194 5.38x39 TM5 Van der Waals
GEM targeting TM3/4/5 Y194 5.38x39 TM5 hydrophobic
flupentixol A195 5.39x40 TM5 polar (hydrogen bond with backbone)
flupentixol A195 5.39x40 TM5 Van der Waals
GEM targeting TM3/4/5 S197 5.41x42 TM5 Van der Waals
flupentixol S198 5.42x43 TM5 Van der Waals
GEM targeting TM3/4/5 S198 5.42x43 TM5 Van der Waals
flupentixol S199 5.43x44 TM5 polar (hydrogen bond)
GEM targeting TM3/4/5 I201 5.45x46 TM5 polar (hydrogen bond with backbone)
GEM targeting TM3/4/5 I201 5.45x46 TM5 Van der Waals
flupentixol S202 5.46x461 TM5 Van der Waals
GEM targeting TM3/4/5 P206 5.50x50 TM5 Van der Waals
GEM targeting TM3/4/5 P206 5.50x50 TM5 hydrophobic
GEM targeting TM3/4/5 I209 5.53x53 TM5 hydrophobic
GEM targeting TM5/6/7 Y214 5.58x58 TM5 hydrophobic
GEM targeting TM5/6/7 T215 5.59x59 TM5 polar (hydrogen bond)
GEM targeting TM5/6/7 T215 5.59x59 TM5 Van der Waals
GEM targeting TM5/6/7 Y218 5.62x62 TM5 polar (hydrogen bond)
GEM targeting TM5/6/7 Y218 5.62x62 TM5 Van der Waals
GEM targeting TM5/6/7 Y218 5.62x62 TM5 aromatic (edge-to-face)
GEM targeting TM5/6/7 V276 6.39x39 TM6 Van der Waals
GEM targeting TM5/6/7 V276 6.39x39 TM6 hydrophobic
GEM targeting TM5/6/7 G279 6.42x42 TM6 Van der Waals
GEM targeting TM5/6/7 V280 6.43x43 TM6 hydrophobic
GEM targeting TM5/6/7 V280 6.43x43 TM6 Van der Waals
flupentixol F281 6.44x44 TM6 hydrophobic
flupentixol F281 6.44x44 TM6 Van der Waals
GEM targeting TM5/6/7 V282 6.45x45 TM6 Van der Waals
GEM targeting TM5/6/7 V282 6.45x45 TM6 hydrophobic
GEM targeting TM5/6/7 C283 6.46x46 TM6 hydrophobic
GEM targeting TM5/6/7 C283 6.46x46 TM6 Van der Waals
GEM targeting TM5/6/7 C284 6.47x47 TM6 Van der Waals
flupentixol W285 6.48x48 TM6 aromatic (face-to-edge)
flupentixol W285 6.48x48 TM6 Van der Waals
GEM targeting TM5/6/7 L286 6.49x49 TM6 Van der Waals
GEM targeting TM5/6/7 L286 6.49x49 TM6 hydrophobic
GEM targeting TM5/6/7 P287 6.50x50 TM6 Van der Waals
GEM targeting TM5/6/7 P287 6.50x50 TM6 hydrophobic
flupentixol F288 6.51x51 TM6 Van der Waals
flupentixol F288 6.51x51 TM6 hydrophobic
flupentixol F289 6.52x52 TM6 aromatic (edge-to-face)
flupentixol F289 6.52x52 TM6 Van der Waals
GEM targeting TM5/6/7 I290 6.53x53 TM6 Van der Waals
GEM targeting TM5/6/7 I290 6.53x53 TM6 hydrophobic
GEM targeting TM5/6/7 L291 6.54x54 TM6 hydrophobic
GEM targeting TM5/6/7 L291 6.54x54 TM6 Van der Waals
GEM targeting TM5/6/7 I294 6.57x57 TM6 hydrophobic
GEM targeting TM5/6/7 I294 6.57x57 TM6 Van der Waals
GEM targeting TM5/6/7 L295 6.58x58 TM6 hydrophobic
GEM targeting TM5/6/7 L295 6.58x58 TM6 Van der Waals
GEM targeting TM5/6/7 F297 ECL3 hydrophobic
GEM targeting TM5/6/7 F297 ECL3 Van der Waals
GEM targeting TM5/6/7 T312 7.34x33 TM7 Van der Waals
GEM targeting TM5/6/7 T312 7.34x33 TM7 polar (hydrogen bond)
GEM targeting TM5/6/7 F316 7.38x37 TM7 aromatic (face-to-edge)
GEM targeting TM5/6/7 F316 7.38x37 TM7 Van der Waals
flupentixol V317 7.39x38 TM7 hydrophobic
flupentixol V317 7.39x38 TM7 Van der Waals
GEM targeting TM5/6/7 F319 7.41x40 TM7 aromatic (edge-to-face)
GEM targeting TM5/6/7 F319 7.41x40 TM7 Van der Waals
flupentixol W321 7.43x42 TM7 hydrophobic
flupentixol W321 7.43x42 TM7 Van der Waals
GEM targeting TM5/6/7 F333 7.55x55 TM7 aromatic (face-to-face)
GEM targeting TM5/6/7 F333 7.55x55 TM7 Van der Waals
GEM targeting TM5/6/7 L1001 hydrophobic
GEM targeting TM5/6/7 L1001 Van der Waals
GEM targeting TM5/6/7 L1005 Van der Waals
GEM targeting TM5/6/7 L1005 hydrophobic
GEM targeting TM5/6/7 K1115 Van der Waals
GEM targeting TM5/6/7 G1119 Van der Waals
GEM targeting TM5/6/7 K1120 polar (charge-assisted hydrogen bond)
GEM targeting TM5/6/7 F1122 hydrophobic
GEM targeting TM5/6/7 F1122 Van der Waals
GEM targeting TM5/6/7 L1123 Van der Waals
GEM targeting TM5/6/7 L1123 hydrophobic
GEM targeting TM5/6/7 A1126 Van der Waals
GEM targeting TM5/6/7 A1126 hydrophobic

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NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

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Download PDB file

Snake plot — Download: PNG | SVG
ICL1 R H L R S ICL1ECL1 F W P F ECL1ICL2 P F R Y E R K M ICL2ECL2 W H K A K P T S P S D G N A T S L A E T I D N C D S S L ECL2ICL3 T T T G N G K P V E C S Q P E S S F ICL3ECL3 G S G E T Q P F C I ECL3N-term M R T L N T S A M D G T G L V V E R D F N-termC-term C Y R L C P A T N N A I E T V S I N N N G A A M F S S H H E P R G S I S K E C N L V Y L I P H A V G S S E D L K K E E A A G I A R P L E K L S P A L S V I L D Y D T D V S L E K I Q P I T Q N G Q H P T C-term S V R I L T A C F L S L L I L S T L L G N T L V C A A V I R F K V T N F F V I S L A V S D L L V A V L V M P W K A V A E I A G G S F C N I W V A F D I M C S T A S I L N L C V I S V D R Y W A I S S T P K A A F I L I S V A W T L S V L I S F I P V Q L S S R T Y A I S S S V I S F Y I P V A I M I V T Y T R I Y R I A Q K Q I R R I A A L E R A A V H A K N C Q K M S F K R E T K V L K T L S V I M G V F V C C W L P F F I L N C I L P F C D S N T F D V F V W F G W A N S S L N P I I Y A F N A D F S T F R K A L L G
Helix box plot — Download: PNG | SVG T N G L L T S L I L L S L F C A T L I R 1 I S L A V S D L L V A L V V M P W K A V A 2 V C L N L I S A T S C M I D F A V W I N 3 A F I L I S V A W T L S V L I S F I P V 4 Y T V I M I A V P I Y F S I V S S S I A Y 5 S V I M G V F V C C W L P F F I L N C I 6 I P N L S S N A W G F W V F V D F T N 7

GPCRdb(A)
GPCRdb(A)
D1 receptor
TM1
1x43 1.43x43 I34
1x47 1.47x47 L38
1x55 1.55x55 A46
1x58 1.58x58 I49
TM2
2x41 2.41x41 F61
2x44 2.44x44 I64
2x48 2.48x48 V68
2x54 2.54x54 A74
2x55 2.55x55 V75
2x58 2.59x58 P79
2x59 2.60x59 W80
2x60 2.61x60 K81
2x62 2.63x62 V83
2x65 2.66x65 I86
2x66 2.67x66 A87
ECL1
23x49 23.49x49 F89
23x51 23.51x51 P91
23x52 23.52x52 F92
TM3
3x24 3.24x24 F95
3x28 3.28x28 W99
3x31 3.31x31 F102
3x32 3.32x32 D103
3x33 3.33x33 I104
3x36 3.36x36 S107
3x37 3.37x37 T108
3x40 3.40x40 I111
3x45 3.45x45 V116
3x48 3.48x48 V119
3x51 3.51x51 Y122
3x52 3.52x52 W123
ICL2
34x55 34.55x55 R133
34x56 34.56x56 K134
TM4
4x38 4.38x38 T136
4x39 4.39x39 P137
4x40 4.40x40 K138
4x41 4.41x41 A139
4x43 4.43x43 F141
4x44 4.44x44 I142
4x45 4.45x45 L143
4x46 4.46x46 I144
4x47 4.47x47 S145
4x48 4.48x48 V146
4x50 4.50x50 W148
4x51 4.51x51 T149
4x52 4.52x52 L150
4x55 4.55x55 L153
4x56 4.56x56 I154
4x59 4.59x59 I157
4x60 4.60x60 P158
4x62 4.62x62 Q160
TM5
5x39 5.38x39 Y194
5x40 5.39x40 A195
5x42 5.41x42 S197
5x43 5.42x43 S198
5x44 5.43x44 S199
5x46 5.45x46 I201
5x461 5.46x461 S202
5x50 5.50x50 P206
5x53 5.53x53 I209
5x58 5.58x58 Y214
5x59 5.59x59 T215
5x62 5.62x62 Y218
TM6
6x39 6.39x39 V276
6x42 6.42x42 G279
6x43 6.43x43 V280
6x44 6.44x44 F281
6x45 6.45x45 V282
6x46 6.46x46 C283
6x47 6.47x47 C284
6x48 6.48x48 W285
6x49 6.49x49 L286
6x50 6.50x50 P287
6x51 6.51x51 F288
6x52 6.52x52 F289
6x53 6.53x53 I290
6x54 6.54x54 L291
6x57 6.57x57 I294
6x58 6.58x58 L295
TM7
7x33 7.34x33 T312
7x37 7.38x37 F316
7x38 7.39x38 V317
7x40 7.41x40 F319
7x42 7.43x42 W321
7x55 7.55x55 F333