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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

NameSCHEMBL15987859
Molecular formulaC27H33ClN6O2
IUPAC nameN-tert-butyl-2-[5-(3-chlorophenyl)-3-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-yl]-1,2,4-triazol-1-yl]acetamide
Molecular weight509.051
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsUS9522914, B-09
BDBM260256
Inchi KeyALFNZFBYYGJOKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33ClN6O2/c1-27(2,3)31-24(35)15-34-26(19-5-4-6-20(28)13-19)30-25(32-34)23-10-7-18(14-29-23)11-12-33-21-8-9-22(33)17-36-16-21/h4-7,10,13-14,21-22H,8-9,11-12,15-17H2,1-3H3,(H,31,35)
PubChem CID86582051
ChEMBLN/A
IUPHARN/A
BindingDB260256
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC502.2 nMN/ABindingDB

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