PDB
Resolution
2.6 Å
Released
Feb. 4, 2026
Receptor
Class
A
Species
Homo sapiens
Ligand
CHEMBL395817
Function
Antagonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL395817 A51 1.32x32 TM1 hydrophobic
CHEMBL395817 E54 1.35x35 TM1 polar (charge-assisted hydrogen bond)
CHEMBL395817 L58 1.39x39 TM1 Van der Waals
CHEMBL395817 Q104 2.57x56 TM2 polar (hydrogen bond with backbone)
CHEMBL395817 Q104 2.57x56 TM2 polar (hydrogen bond)
CHEMBL395817 Q108 2.61x60 TM2 polar (hydrogen bond)
CHEMBL395817 D112 2.65x64 TM2 polar (charge-assisted hydrogen bond)
CHEMBL395817 K128 3.29x29 TM3 polar (charge-assisted hydrogen bond)
CHEMBL395817 Q131 3.32x32 TM3 polar (hydrogen bond)
CHEMBL395817 V132 3.33x33 TM3 Van der Waals
CHEMBL395817 M135 3.36x36 TM3 polar (hydrogen bond)
CHEMBL395817 Q185 4.60x61 TM4 polar (hydrogen bond)
CHEMBL395817 V188 4.63x64 TM4 Van der Waals
CHEMBL395817 F189 4.64x65 TM4 polar (hydrogen bond)
CHEMBL395817 A205 45.52x52 ECL2 Van der Waals
CHEMBL395817 F207 ECL2 Van der Waals
CHEMBL395817 F207 ECL2 aromatic (edge-to-face)
CHEMBL395817 S213 5.35x36 TM5 Van der Waals
CHEMBL395817 Y216 5.38x39 TM5 polar (hydrogen bond)
CHEMBL395817 V217 5.39x40 TM5 Van der Waals
CHEMBL395817 V217 5.39x40 TM5 polar (hydrogen bond with backbone)
CHEMBL395817 M220 5.42x43 TM5 Van der Waals
CHEMBL395817 M220 5.42x43 TM5 polar (hydrogen bond with backbone)
CHEMBL395817 T221 5.43x44 TM5 polar (hydrogen bond)
CHEMBL395817 T221 5.43x44 TM5 polar (hydrogen bond with backbone)
CHEMBL395817 I224 5.46x461 TM5 Van der Waals
CHEMBL395817 W304 6.48x48 TM6 Van der Waals
CHEMBL395817 W304 6.48x48 TM6 hydrophobic
CHEMBL395817 F307 6.51x51 TM6 aromatic (edge-to-face)
CHEMBL395817 F307 6.51x51 TM6 polar (hydrogen bond)
CHEMBL395817 F308 6.52x52 TM6 hydrophobic
CHEMBL395817 F308 6.52x52 TM6 Van der Waals
CHEMBL395817 Q311 6.55x55 TM6 polar (hydrogen bond)
CHEMBL395817 V315 6.59x59 TM6 Van der Waals
CHEMBL395817 I330 7.35x34 TM7 polar (hydrogen bond)
CHEMBL395817 T331 7.36x35 TM7 polar (hydrogen bond)
CHEMBL395817 A334 7.39x38 TM7 polar (hydrogen bond)
CHEMBL395817 A334 7.39x38 TM7 polar (hydrogen bond with backbone)
CHEMBL395817 S338 7.43x42 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
V1A receptor
TM1
1x32 1.32x32 A51
1x35 1.35x35 E54
1x39 1.39x39 L58
TM2
2x56 2.57x56 Q104
2x60 2.61x60 Q108
2x64 2.65x64 D112
TM3
3x29 3.29x29 K128
3x32 3.32x32 Q131
3x33 3.33x33 V132
3x36 3.36x36 M135
TM4
4x61 4.60x61 Q185
4x64 4.63x64 V188
4x65 4.64x65 F189
ECL2
45x52 45.52x52 A205
TM5
5x36 5.35x36 S213
5x39 5.38x39 Y216
5x40 5.39x40 V217
5x43 5.42x43 M220
5x44 5.43x44 T221
5x461 5.46x461 I224
TM6
6x48 6.48x48 W304
6x51 6.51x51 F307
6x52 6.52x52 F308
6x55 6.55x55 Q311
6x59 6.59x59 V315
TM7
7x34 7.35x34 I330
7x35 7.36x35 T331
7x38 7.39x38 A334
7x42 7.43x42 S338