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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

NameCHEMBL455699
Molecular formulaC26H25F2N3O2
IUPAC name1-(2,6-difluorophenyl)-3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]urea
Molecular weight449.502
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50246925
SCHEMBL5235385
1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
Inchi KeyBWBKKFRRYWSYQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)
PubChem CID44563579
ChEMBLCHEMBL455699
IUPHARN/A
BindingDB50246925
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC502.1 nMPMID19053774BindingDB,ChEMBL
Ki200.0 nMPMID19053774BindingDB,ChEMBL

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