PDB
9LLG
Resolution
2.8 Å
Released
March 4, 2026
Receptor
D1
Class
A
Species
Homo sapiens
Ligands
flupentixol
negative allosteric GEM
Function
Antagonist
NAM
Reference
—
flupentixol negative allosteric GEM

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Ligand Amino Acid Generic Number Segment Interaction Type
flupentixol W99 3.28x28 TM3 hydrophobic
flupentixol T108 3.37x37 TM3 polar (hydrogen bond)
flupentixol I111 3.40x40 TM3 Van der Waals
flupentixol I111 3.40x40 TM3 hydrophobic
flupentixol L190 ECL2 Van der Waals
flupentixol Y194 5.38x39 TM5 Van der Waals
flupentixol S198 5.42x43 TM5 Van der Waals
flupentixol S202 5.46x461 TM5 Van der Waals
negative allosteric GEM Y214 5.58x58 TM5 hydrophobic
negative allosteric GEM T215 5.59x59 TM5 Van der Waals
negative allosteric GEM T215 5.59x59 TM5 polar (hydrogen bond)
negative allosteric GEM Y218 5.62x62 TM5 Van der Waals
negative allosteric GEM Y218 5.62x62 TM5 polar (hydrogen bond)
negative allosteric GEM V276 6.39x39 TM6 Van der Waals
negative allosteric GEM V276 6.39x39 TM6 hydrophobic
negative allosteric GEM G279 6.42x42 TM6 Van der Waals
negative allosteric GEM V280 6.43x43 TM6 Van der Waals
negative allosteric GEM V280 6.43x43 TM6 hydrophobic
flupentixol F281 6.44x44 TM6 Van der Waals
flupentixol F281 6.44x44 TM6 hydrophobic
negative allosteric GEM V282 6.45x45 TM6 Van der Waals
negative allosteric GEM V282 6.45x45 TM6 hydrophobic
negative allosteric GEM C283 6.46x46 TM6 Van der Waals
negative allosteric GEM C283 6.46x46 TM6 hydrophobic
negative allosteric GEM C284 6.47x47 TM6 Van der Waals
flupentixol W285 6.48x48 TM6 Van der Waals
flupentixol W285 6.48x48 TM6 aromatic (face-to-edge)
negative allosteric GEM L286 6.49x49 TM6 hydrophobic
negative allosteric GEM L286 6.49x49 TM6 Van der Waals
negative allosteric GEM P287 6.50x50 TM6 Van der Waals
negative allosteric GEM P287 6.50x50 TM6 hydrophobic
flupentixol F288 6.51x51 TM6 hydrophobic
flupentixol F288 6.51x51 TM6 Van der Waals
flupentixol F289 6.52x52 TM6 Van der Waals
flupentixol F289 6.52x52 TM6 aromatic (edge-to-face)
negative allosteric GEM I290 6.53x53 TM6 Van der Waals
negative allosteric GEM I290 6.53x53 TM6 hydrophobic
negative allosteric GEM L291 6.54x54 TM6 hydrophobic
negative allosteric GEM L291 6.54x54 TM6 Van der Waals
flupentixol N292 6.55x55 TM6 polar (hydrogen bond)
negative allosteric GEM I294 6.57x57 TM6 hydrophobic
negative allosteric GEM I294 6.57x57 TM6 Van der Waals
negative allosteric GEM F297 6.60x60 TM6 Van der Waals
negative allosteric GEM F297 6.60x60 TM6 hydrophobic
negative allosteric GEM C298 6.61x61 TM6 Van der Waals
negative allosteric GEM C298 6.61x61 TM6 hydrophobic
negative allosteric GEM C307 ECL3 Van der Waals
negative allosteric GEM D309 7.31x30 TM7 Van der Waals
negative allosteric GEM T312 7.34x33 TM7 Van der Waals
negative allosteric GEM T312 7.34x33 TM7 polar (hydrogen bond)
negative allosteric GEM V315 7.37x36 TM7 hydrophobic
negative allosteric GEM F316 7.38x37 TM7 aromatic (face-to-edge)
negative allosteric GEM F316 7.38x37 TM7 Van der Waals
flupentixol V317 7.39x38 TM7 Van der Waals
flupentixol V317 7.39x38 TM7 hydrophobic
negative allosteric GEM F319 7.41x40 TM7 aromatic (edge-to-face)
negative allosteric GEM F319 7.41x40 TM7 Van der Waals
flupentixol W321 7.43x42 TM7 hydrophobic
negative allosteric GEM L326 7.48x48 TM7 hydrophobic
negative allosteric GEM I330 7.52x52 TM7 Van der Waals
negative allosteric GEM I330 7.52x52 TM7 hydrophobic
negative allosteric GEM F333 7.55x55 TM7 hydrophobic
negative allosteric GEM F333 7.55x55 TM7 Van der Waals
negative allosteric GEM L1221 Van der Waals
negative allosteric GEM L1221 hydrophobic
negative allosteric GEM L1225 hydrophobic
negative allosteric GEM L1225 Van der Waals
negative allosteric GEM K1335 Van der Waals
negative allosteric GEM G1339 Van der Waals
negative allosteric GEM K1340 polar (charge-assisted hydrogen bond)
negative allosteric GEM F1342 Van der Waals
negative allosteric GEM F1342 hydrophobic
negative allosteric GEM L1343 hydrophobic
negative allosteric GEM L1343 Van der Waals
negative allosteric GEM A1346 hydrophobic
negative allosteric GEM A1346 Van der Waals

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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
TM3
3x28 3.28x28 W99
3x37 3.37x37 T108
3x40 3.40x40 I111
TM5
5x39 5.38x39 Y194
5x43 5.42x43 S198
5x461 5.46x461 S202
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
6x55 6.55x55 N292
6x57 6.57x57 I294
6x60 6.60x60 F297
6x61 6.61x61 C298
TM7
7x30 7.31x30 D309
7x33 7.34x33 T312
7x36 7.37x36 V315
7x37 7.38x37 F316
7x38 7.39x38 V317
7x40 7.41x40 F319
7x42 7.43x42 W321
7x48 7.48x48 L326
7x52 7.52x52 I330
7x55 7.55x55 F333