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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

NameCHEMBL3186564
Molecular formulaC23H28ClN3O2
IUPAC name4-(5-chloro-2-methylphenyl)-N-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
Molecular weight413.946
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
SynonymsSR-02000002599-1
SCHEMBL15963460
SR-02000002599
Inchi KeyBEPQSDSOUDZNBE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28ClN3O2/c1-17-3-6-19(24)15-22(17)25-11-13-26(14-12-25)23(28)27(16-18-4-5-18)20-7-9-21(29-2)10-8-20/h3,6-10,15,18H,4-5,11-14,16H2,1-2H3
PubChem CID71768336
ChEMBLCHEMBL3186564
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5016600.0 nMPubChem BioAssay data setChEMBL

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