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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

NameCHEMBL86936
Molecular formulaC32H37N5O2
IUPAC name6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one
Molecular weight523.681
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.1
Synonyms6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-1-(4-methyl-piperazin-1-yl)-hexan-1-one
BDBM50114040
Inchi KeyBQNUUTOEFJBHRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37N5O2/c1-25-33-34-32(28-18-16-27(17-19-28)26-11-5-3-6-12-26)37(25)29-13-8-9-14-30(29)39-24-10-4-7-15-31(38)36-22-20-35(2)21-23-36/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-24H2,1-2H3
PubChem CID10907482
ChEMBLCHEMBL86936
IUPHARN/A
BindingDB50114040
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
Ki6650.0 nMPMID12036368BindingDB,ChEMBL

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