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GPCR

NameVasopressin V1a receptor
SpeciesHomo sapiens (Human)
GeneAVPR1A
SynonymAVPR V1a
AVPR
Antidiuretic hormone receptor 1a
AVPR1
V1A receptor
[ Show all ]
DiseaseEuvolemic hyponatremia
Hyponatraemia
Dysmenorrhea
Cardiotonic
Infertility
[ Show all ]
Length418
Amino acid sequenceMRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
UniProtP37288
Protein Data BankN/A
GPCR-HGmod modelP37288
3D structure modelThis predicted structure model is from GPCR-EXP P37288.
BioLiPN/A
Therapeutic Target DatabaseT79232
ChEMBLCHEMBL1889
IUPHAR366
DrugBankBE0000165

Ligand

NameCHEMBL86936
Molecular formulaC32H37N5O2
IUPAC name6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one
Molecular weight523.681
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50114040
6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-1-(4-methyl-piperazin-1-yl)-hexan-1-one
Inchi KeyBQNUUTOEFJBHRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37N5O2/c1-25-33-34-32(28-18-16-27(17-19-28)26-11-5-3-6-12-26)37(25)29-13-8-9-14-30(29)39-24-10-4-7-15-31(38)36-22-20-35(2)21-23-36/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-24H2,1-2H3
PubChem CID10907482
ChEMBLCHEMBL86936
IUPHARN/A
BindingDB50114040
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki9.16 nMPMID12036368BindingDB,ChEMBL

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