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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

NameAC1NAH0H
Molecular formulaC20H26N6O5
IUPAC name8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Molecular weight430.465
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP-0.6
Synonyms8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
MCULE-5350916084
SMR000622863
8-{[4-(2-furoyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CHEMBL1607800
[ Show all ]
Inchi KeyGRYSAZLBFFFFJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N6O5/c1-22-17-16(19(29)23(2)20(22)30)26(6-4-11-27)15(21-17)13-24-7-9-25(10-8-24)18(28)14-5-3-12-31-14/h3,5,12,27H,4,6-11,13H2,1-2H3
PubChem CID4426797
ChEMBLCHEMBL1607800
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
Potency34649.1 nMPubChem BioAssay data setChEMBL

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