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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

NameAC1MKYJM
Molecular formulaC19H22N6O4S
IUPAC nameN-[3-[[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]phenyl]propanamide
Molecular weight430.483
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.0
SynonymsOprea1_479782
MCULE-7256503504
AKOS000689922
N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CHEMBL1470851
[ Show all ]
Inchi KeyHLYRLIQRILRLIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N6O4S/c1-5-13(26)20-11-7-6-8-12(9-11)21-14(27)10-30-18-22-16-15(23(18)2)17(28)25(4)19(29)24(16)3/h6-9H,5,10H2,1-4H3,(H,20,26)(H,21,27)
PubChem CID3186626
ChEMBLCHEMBL1470851
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
Potency38876.9 nMPubChem BioAssay data setChEMBL

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