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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

NameCHEMBL3354600
Molecular formulaC46H67N11O12S2
IUPAC name(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-N-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentazacycloicosane-3-carboxamide
Molecular weight1030.23
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP-0.8
SynonymsBDBM50044680
Inchi KeyBIIQLMRFKLOOEA-LZNUSVCISA-N
Inchi IDInChI=1S/C46H67N11O12S2/c1-5-26(4)40-45(68)53-30(14-15-35(47)59)42(65)54-33(20-36(48)60)43(66)55-34(24-70-16-7-9-38(62)51-32(44(67)56-40)19-27-10-12-28(58)13-11-27)46(69)57(22-29-8-6-17-71-29)23-39(63)52-31(18-25(2)3)41(64)50-21-37(49)61/h6,8,10-13,17,25-26,30-34,40,58H,5,7,9,14-16,18-24H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t26-,30-,31-,32-,33-,34-,40-/m0/s1
PubChem CID118720288
ChEMBLCHEMBL3354600
IUPHARN/A
BindingDB50044680
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50250.0 nMPMID24874785BindingDB,ChEMBL

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