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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

NameCHEMBL166265
Molecular formulaC26H22FN3O2
IUPAC nameN-[4-(3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-9-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
Molecular weight427.479
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50125110
N-[4-(3,4,5,6-Tetrahydro-1H-azepino[4,3,2-cd]indole-6-ylcarbonyl)phenyl]-2-methyl-5-fluorobenzamide
5-Fluoro-2-methyl-N-[4-(1,3,4,5-tetrahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-benzamide
Inchi KeyCCJORWLGDANJOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22FN3O2/c1-16-7-10-19(27)14-21(16)25(31)29-20-11-8-17(9-12-20)26(32)30-13-3-4-18-15-28-22-5-2-6-23(30)24(18)22/h2,5-12,14-15,28H,3-4,13H2,1H3,(H,29,31)
PubChem CID44377837
ChEMBLCHEMBL166265
IUPHARN/A
BindingDB50125110
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50190.0 nMPMID12639574BindingDB,ChEMBL

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