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GPCR

NameVasopressin V2 receptor
SpeciesHomo sapiens (Human)
GeneAVPR2
SynonymAVPR V2
antidiuretic hormone receptor
Renal-type arginine vasopressin receptor
DIR3
ADHR
[ Show all ]
DiseaseEuvolemic hyponatremia; Hypervolemic hyponatremia
Enuresis; Polyuria; Diabetes insipidus
Hypervolaemic hyponatraemia; Euvolaemic hyponatraemia
Congestive heart failure
Heart failure
[ Show all ]
Length371
Amino acid sequenceMLMASTTSAVPGHPSLPSLPSNSSQERPLDTRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGHLCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQRNVEGGSGVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHASLVPGPSERPGGRRRGRRTGSPGEGAHVSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCARGRTPPSLGPQDESCTTASSSLAKDTSS
UniProtP30518
Protein Data BankN/A
GPCR-HGmod modelP30518
3D structure modelThis predicted structure model is from GPCR-EXP P30518.
BioLiPN/A
Therapeutic Target DatabaseT66237
ChEMBLCHEMBL1790
IUPHAR368
DrugBankBE0000293

Ligand

NameCHEMBL334363
Molecular formulaC31H26F2N2O2S
IUPAC nameN-[4-[2-(2,2-difluoroethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
Molecular weight528.618
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP7.3
SynonymsBDBM50135422
Biphenyl-2-carboxylic acid {4-[2-(2,2-difluoro-ethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazepine-5-carbonyl]-phenyl}-amide
Inchi KeyCSMQABFHHCZJMM-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H26F2N2O2S/c32-29(33)20-24-18-19-35(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)34-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24,29H,18-20H2,(H,34,36)
PubChem CID44352767
ChEMBLCHEMBL334363
IUPHARN/A
BindingDB50135422
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
IC50100.0 nMPMID14592501BindingDB,ChEMBL

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