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GPCR

NameLysophosphatidic acid receptor 3
SpeciesHomo sapiens (Human)
GeneLPAR3
SynonymLPA-3
Edg7
endothelial differentiation gene 7, lysophosphatidic acid G-protein-coupled receptor 7
LPA receptor 3
Lysophosphatidic acid receptor Edg-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

NameCHEMBL482498
Molecular formulaC26H20N2O8
IUPAC name(E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid
Molecular weight488.452
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.9
SynonymsAC1M4JFJ
MolPort-001-015-587
ZINC2924824
BDBM50271765
STK155992
[ Show all ]
Inchi KeyHZFPOTBCYPWQSH-QUMQEAAQSA-N
Inchi IDInChI=1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12+,15-13+
PubChem CID2260227
ChEMBLCHEMBL482498
IUPHARN/A
BindingDB50271765
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501230.0 nMPMID18467108, PMID19800804BindingDB,ChEMBL
Ki310.0 nMPMID18467108BindingDB,ChEMBL

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