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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

NameCHEMBL327365
Molecular formulaC32H29N3O2S
IUPAC nameN-[4-(1,2,4,4a,5,11-hexahydro-[1,4]thiazino[3,4-c][1,4]benzodiazepine-6-carbonyl)phenyl]-2-phenylbenzamide
Molecular weight519.663
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50146292
Biphenyl-2-carboxylic acid [4-(3,4,11,11a-tetrahydro-1H,5H-2-thia-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-amide
L019922
Inchi KeyBXOKIJAEZHPQKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)
PubChem CID9849525
ChEMBLCHEMBL327365
IUPHARN/A
BindingDB50146292
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
Ki49.0 nMPMID15125926BindingDB,ChEMBL
Ki8000.0 nMPMID15125926BindingDB,ChEMBL

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