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GPCR

NameVasopressin V1b receptor
SpeciesHomo sapiens (Human)
GeneAVPR1B
SynonymAVPR3
Vasopressin V3 receptor
vasopressin V1b receptor
V3/V1b pituitary vasopressin receptor
V3
[ Show all ]
DiseaseAnxiety disorder
Major depressive disorder; Anxiety
Major depressive disorder
Length424
Amino acid sequenceMDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
UniProtP47901
Protein Data BankN/A
GPCR-HGmod modelP47901
3D structure modelThis predicted structure model is from GPCR-EXP P47901.
BioLiPN/A
Therapeutic Target DatabaseT59881
ChEMBLCHEMBL1921
IUPHAR367
DrugBankBE0000773

Ligand

NameCHEMBL1779411
Molecular formulaC32H30ClN3O6S
IUPAC name(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-(2-phenylpyrrolidin-1-yl)indol-2-one
Molecular weight620.117
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50345148
(+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-phenylpyrrolidin-1-yl)indolin-2-one
Inchi KeyAFZAVVBREFXQLX-AKWYTYQQSA-N
Inchi IDInChI=1S/C32H30ClN3O6S/c1-40-23-14-16-29(28(20-23)41-2)43(38,39)36-27-15-13-22(33)19-25(27)32(31(36)37,24-11-7-17-34-30(24)42-3)35-18-8-12-26(35)21-9-5-4-6-10-21/h4-7,9-11,13-17,19-20,26H,8,12,18H2,1-3H3/t26?,32-/m0/s1
PubChem CID54580517
ChEMBLCHEMBL1779411
IUPHARN/A
BindingDB50345148
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID21605973BindingDB,ChEMBL

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