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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

NameCHEMBL1778934
Molecular formulaC32H34N4O2
IUPAC nameN-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]quinazolin-3-yl]acetamide
Molecular weight506.65
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50345062
N-(cyclopropylmethyl)-2-(4-oxo-2-phenyl-6-(4-(piperidin-1-ylmethyl)phenyl)quinazolin-3(4H)-yl)acetamide
SCHEMBL3552454
Inchi KeyAPLNTDBKSIRJBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H34N4O2/c37-30(33-20-23-9-10-23)22-36-31(26-7-3-1-4-8-26)34-29-16-15-27(19-28(29)32(36)38)25-13-11-24(12-14-25)21-35-17-5-2-6-18-35/h1,3-4,7-8,11-16,19,23H,2,5-6,9-10,17-18,20-22H2,(H,33,37)
PubChem CID54585721
ChEMBLCHEMBL1778934
IUPHARN/A
BindingDB50345062
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<20000.0 nMPMID21596563BindingDB,ChEMBL

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