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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

NameMLS001116679
Molecular formulaC21H23N3O5S
IUPAC name6-[[4-methoxy-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
Molecular weight429.491
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.1
SynonymsAKOS021655907
HMS2961B14
MolPort-007-771-471
6-{4-methoxy-3-[(3-methylpiperidin-1-yl)sulfonyl]benzyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
MCULE-6702202959
[ Show all ]
Inchi KeyBXCKPIDAKTWCDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N3O5S/c1-14-5-4-10-23(12-14)30(27,28)18-11-15(7-8-17(18)29-2)13-24-20(25)16-6-3-9-22-19(16)21(24)26/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3
PubChem CID20923127
ChEMBLCHEMBL1400119
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
Potency8682.8 nMPubChem BioAssay data setChEMBL

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