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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

NameCHEMBL159856
Molecular formulaC28H23ClN2O2S
IUPAC nameN-[4-(2-chloro-5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
Molecular weight487.014
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.8
Synonyms2-Chloro-4-[4-(2-phenylbenzoylamino)benzoyl]-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine
Biphenyl-2-carboxylic acid [4-(2-chloro-5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-amide
BDBM50087543
Inchi KeyAZRBAQMNBZZIDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H23ClN2O2S/c29-26-18-24-25(34-26)12-6-7-17-31(24)28(33)20-13-15-21(16-14-20)30-27(32)23-11-5-4-10-22(23)19-8-2-1-3-9-19/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,32)
PubChem CID44374781
ChEMBLCHEMBL159856
IUPHARN/A
BindingDB50087543
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5082.0 nMPMID10782666BindingDB,ChEMBL

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