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GPCR

NameVasopressin V2 receptor
SpeciesSus scrofa (Pig)
GeneAVPR2
SynonymAntidiuretic hormone receptor
AVPR V2
Renal-type arginine vasopressin receptor
V2R
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMLRATTSAVPRALSWPAAPGNGSEREPLDDRDPLLARVELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATYRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGDGSGVLDCWASFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHTSLVPGPAERAGGHRGGRRAGSPREGARVSAAMAKTARMTLVIVAVYVLCWAPFFLVQLWSVWDPKAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCPRRRTPPSLRPQEESCATASSFSARDTSS
UniProtP32307
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3944
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL446683
Molecular formulaC41H56N6O9S2
IUPAC name(11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carboxylic acid
Molecular weight841.052
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP3.8
SynonymsBDBM50016751
20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropy l-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carboxylic acid
Inchi KeyYOJYPLAUIWZLNP-NRLOGRAZSA-N
Inchi IDInChI=1S/C41H56N6O9S2/c1-4-56-28-15-13-27(14-16-28)20-29-36(50)44-30(19-26-11-7-5-8-12-26)38(52)47-35(25(2)3)39(53)45-31(21-33(42)48)37(51)46-32(40(54)55)23-57-24-58-41(22-34(49)43-29)17-9-6-10-18-41/h5,7-8,11-16,25,29-32,35H,4,6,9-10,17-24H2,1-3H3,(H2,42,48)(H,43,49)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H,54,55)/t29-,30-,31-,32-,35+/m1/s1
PubChem CID44351337
ChEMBLCHEMBL446683
IUPHARN/A
BindingDB50016751
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
K bind1100.0 nMPMID2521519ChEMBL
Ki490.0 nMPMID2521519BindingDB,ChEMBL

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