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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

NameCHEMBL2371439
Molecular formulaC51H73N13O10S2
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13,16-dibenzyl-20-cyclopentyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1092.35
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP0.4
SynonymsBDBM50020698
1-(13,16-Dibenzyl-7-carbamoylmethyl-20-cyclopentyl-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl)-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide
Inchi KeyWNMDMPAXZIHUKS-AZNLSQIPSA-N
Inchi IDInChI=1S/C51H73N13O10S2/c1-29(2)43-49(73)61-36(25-40(52)65)46(70)62-37(50(74)64-22-12-20-38(64)48(72)59-33(19-11-21-56-51(54)55)44(68)57-27-41(53)66)28-75-76-39(32-17-9-10-18-32)26-42(67)58-34(23-30-13-5-3-6-14-30)45(69)60-35(47(71)63-43)24-31-15-7-4-8-16-31/h3-8,13-16,29,32-39,43H,9-12,17-28H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34-,35-,36-,37-,38-,39?,43-/m0/s1
PubChem CID73350170
ChEMBLCHEMBL2371439
IUPHARN/A
BindingDB50020698
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 bind1.3e-07 MPMID2965243ChEMBL
Ki46.0 nMPMID2965243BindingDB,ChEMBL

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