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GPCR

NameLysophosphatidic acid receptor 1
SpeciesHomo sapiens (Human)
GeneLPAR1
SynonymLPA-1
lysophosphatidic acid receptor Edg-2
endothelial differentiation gene 2, lysophosphatidic acid G-protein-coupled receptor, 2
VZG1
Lysophosphatidic acid receptor Edg-2 {ECO:0000303|PubMed:9070858}
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DiseaseIdiopathic pulmonary fibrosis
Length364
Amino acid sequenceMAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProtQ92633
Protein Data Bank4z34, 4z35, 4z36
GPCR-HGmod modelQ92633
3D structure modelThis structure is from PDB ID 4z34.
BioLiPBL0315556, BL0315553, BL0315555, BL0315558, BL0315554, BL0315557
Therapeutic Target DatabaseT92640
ChEMBLCHEMBL3819
IUPHAR272
DrugBankN/A

Ligand

NameCHEMBL190349
Molecular formulaC12H25O4P
IUPAC name[(E)-dodec-9-enyl] dihydrogen phosphate
Molecular weight264.302
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
Synonyms849721-44-4
9-Dodecen-1-ol, dihydrogen phosphate
BDBM50170858
D07WLV
Phosphoric acid mono-((E)-dodec-9-enyl) ester
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Inchi KeyFSJUVXSBVQARLY-ONEGZZNKSA-N
Inchi IDInChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+
PubChem CID11219269
ChEMBLCHEMBL190349
IUPHARN/A
BindingDB50170858
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID16033271BindingDB,ChEMBL

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