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GPCR

NameLysophosphatidic acid receptor 3
SpeciesHomo sapiens (Human)
GeneLPAR3
SynonymLysophosphatidic acid receptor Edg-7
LPA3 receptor
LPA-3
LPA receptor 3
endothelial differentiation gene 7, lysophosphatidic acid G-protein-coupled receptor 7
[ Show all ]
DiseaseFibrosis
Length353
Amino acid sequenceMNECHYDKHMDFFYNRSNTDTVDDWTGTKLVIVLCVGTFFCLFIFFSNSLVIAAVIKNRKFHFPFYYLLANLAAADFFAGIAYVFLMFNTGPVSKTLTVNRWFLRQGLLDSSLTASLTNLLVIAVERHMSIMRMRVHSNLTKKRVTLLILLVWAIAIFMGAVPTLGWNCLCNISACSSLAPIYSRSYLVFWTVSNLMAFLIMVVVYLRIYVYVKRKTNVLSPHTSGSISRRRTPMKLMKTVMTVLGAFVVCWTPGLVVLLLDGLNCRQCGVQHVKRWFLLLALLNSVVNPIIYSYKDEDMYGTMKKMICCFSQENPERRPSRIPSTVLSRSDTGSQYIEDSISQGAVCNKSTS
UniProtQ9UBY5
Protein Data BankN/A
GPCR-HGmod modelQ9UBY5
3D structure modelThis predicted structure model is from GPCR-EXP Q9UBY5.
BioLiPN/A
Therapeutic Target DatabaseT95923
ChEMBLCHEMBL3250
IUPHAR274
DrugBankN/A

Ligand

NameCHEMBL482506
Molecular formulaC17H33O7PS
IUPAC name[(2R)-3-dihydroxyphosphinothioyloxy-2-heptanoyloxypropyl] heptanoate
Molecular weight412.478
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50271806
Heptanoic acid (R)-1-heptanoyloxymethyl-2-thiophosphonooxy-ethyl ester
Inchi KeyKKEVRMGORZIWCG-OAHLLOKOSA-N
Inchi IDInChI=1S/C17H33O7PS/c1-3-5-7-9-11-16(18)22-13-15(14-23-25(20,21)26)24-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,26)/t15-/m1/s1
PubChem CID44586491
ChEMBLCHEMBL482506
IUPHARN/A
BindingDB50271806
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50184.0 nMPMID18467108BindingDB,ChEMBL

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