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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

NameCHEMBL328474
Molecular formulaC30H48NO6P
IUPAC name[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-(4-prop-2-ynoxyphenyl)propyl] dihydrogen phosphate
Molecular weight549.689
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP7.3
SynonymsBDBM50146249
Phosphoric acid mono-[(S)-2-((Z)-octadec-9-enoylamino)-3-(4-prop-2-ynyloxy-phenyl)-propyl] ester
Inchi KeyDYEIZFCEKFBLDA-BMMGBYBSSA-N
Inchi IDInChI=1S/C30H48NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(32)31-28(26-37-38(33,34)35)25-27-20-22-29(23-21-27)36-24-4-2/h2,11-12,20-23,28H,3,5-10,13-19,24-26H2,1H3,(H,31,32)(H2,33,34,35)/b12-11-/t28-/m0/s1
PubChem CID11512311
ChEMBLCHEMBL328474
IUPHARN/A
BindingDB50146249
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
IC50<10000.0 nMPMID15125924BindingDB,ChEMBL

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