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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

NameCHEMBL369806
Molecular formulaC47H71N11O8S2
IUPAC name(10S,13R,16S,19R,22S)-N-[(2S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]-13-(2-aminoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide
Molecular weight982.274
Hydrogen bond acceptor12
Hydrogen bond donor10
XlogP2.0
SynonymsBDBM50020672
13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid (1-carbamoyl-5-guanidino-pentyl)-amide
Inchi KeyPSDGNVPIGGUELW-ABSFKKRFSA-N
Inchi IDInChI=1S/C47H71N11O8S2/c1-4-66-32-18-16-31(17-19-32)26-35-42(62)56-36(25-30-13-7-5-8-14-30)43(63)58-39(29(2)3)45(65)55-34(20-23-48)41(61)57-37(28-67-68-47(27-38(59)53-35)21-10-6-11-22-47)44(64)54-33(40(49)60)15-9-12-24-52-46(50)51/h5,7-8,13-14,16-19,29,33-37,39H,4,6,9-12,15,20-28,48H2,1-3H3,(H2,49,60)(H,53,59)(H,54,64)(H,55,65)(H,56,62)(H,57,61)(H,58,63)(H4,50,51,52)/t33-,34+,35-,36+,37+,39-/m0/s1
PubChem CID44386688
ChEMBLCHEMBL369806
IUPHARN/A
BindingDB50020672
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 bind31.0 -PMID2940368ChEMBL
Ki13.0 nMPMID2940368BindingDB,ChEMBL

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