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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

NameCHEMBL1778946
Molecular formulaC29H28N4O2
IUPAC name2-[6-[3-(azetidin-1-ylmethyl)phenyl]-4-oxo-2-phenylquinazolin-3-yl]-N-cyclopropylacetamide
Molecular weight464.569
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50345041
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-cyclopropylacetamide
Inchi KeyBBCVGKZTYXPRDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N4O2/c34-27(30-24-11-12-24)19-33-28(21-7-2-1-3-8-21)31-26-13-10-23(17-25(26)29(33)35)22-9-4-6-20(16-22)18-32-14-5-15-32/h1-4,6-10,13,16-17,24H,5,11-12,14-15,18-19H2,(H,30,34)
PubChem CID54584782
ChEMBLCHEMBL1778946
IUPHARN/A
BindingDB50345041
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC502550.0 nMPMID21596563BindingDB,ChEMBL

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