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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

NameCHEMBL329422
Molecular formulaC32H56NO6P
IUPAC name[(2R)-3-[4-(3-methylbutoxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight581.775
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP8.9
SynonymsBDBM50146241
Phosphoric acid mono-[(R)-3-[4-(3-methyl-butoxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi KeyIZCBSRVXYMBWHV-FNFBAFLYSA-N
Inchi IDInChI=1S/C32H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(34)33-30(27-39-40(35,36)37)26-29-20-22-31(23-21-29)38-25-24-28(2)3/h11-12,20-23,28,30H,4-10,13-19,24-27H2,1-3H3,(H,33,34)(H2,35,36,37)/b12-11-/t30-/m1/s1
PubChem CID44325365
ChEMBLCHEMBL329422
IUPHARN/A
BindingDB50146241
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50351.0 nMPMID15125924ChEMBL
IC50351.0 nMPMID15125924BindingDB

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