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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

NameAC1NRKQ1
Molecular formulaC19H17FN8O3
IUPAC name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
Molecular weight424.396
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP0.7
SynonymsSMR000307122
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]acetohydrazide
MLS000728844
AC1O9D8Y
[ Show all ]
Inchi KeyGEMRQMMWCHIEKF-QPJQQBGISA-N
Inchi IDInChI=1S/C19H17FN8O3/c1-26-17-16(18(30)27(2)19(26)31)28(10-21-17)9-14(29)24-22-7-12-8-23-25-15(12)11-3-5-13(20)6-4-11/h3-8,10H,9H2,1-2H3,(H,23,25)(H,24,29)/b22-7+
PubChem CID135439671
ChEMBLCHEMBL1980641
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
Potency21810.3 nMPubChem BioAssay data setChEMBL

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