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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

NameCHEMBL129274
Molecular formulaC45H63N7O9S2
IUPAC name2-[(11S,14R,17S,20R,23R)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-11-(2-hydroxypyrrolidine-1-carbonyl)-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosan-14-yl]acetamide
Molecular weight910.159
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP4.3
SynonymsBDBM50016758
2-[20-Benzyl-23-(4-ethoxy-benzyl)-11-(2-hydroxy-pyrrolidine-1-carbonyl)-17-isopropyl-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacos-14-yl]-acetamide
Inchi KeyGHCOYRITSYJMIC-JTTPPQGTSA-N
Inchi IDInChI=1S/C45H63N7O9S2/c1-4-61-31-17-15-30(16-18-31)23-32-40(56)48-33(22-29-12-7-5-8-13-29)42(58)51-39(28(2)3)43(59)49-34(24-36(46)53)41(57)50-35(44(60)52-21-11-14-38(52)55)26-62-27-63-45(25-37(54)47-32)19-9-6-10-20-45/h5,7-8,12-13,15-18,28,32-35,38-39,55H,4,6,9-11,14,19-27H2,1-3H3,(H2,46,53)(H,47,54)(H,48,56)(H,49,59)(H,50,57)(H,51,58)/t32-,33-,34-,35-,38?,39+/m1/s1
PubChem CID44351328
ChEMBLCHEMBL129274
IUPHARN/A
BindingDB50016758
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 bind400.0 nMPMID2521519ChEMBL
Ki130.0 nMPMID2521519BindingDB,ChEMBL

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