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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}
[ Show all ]
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

NameCHEMBL3901720
Molecular formulaC24H20F3NO5
IUPAC name4-[[[4-(2-methoxyphenoxy)benzoyl]-(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
Molecular weight459.421
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL16507533
BDBM251725
US9464060, 61
Inchi KeyDCOUVLUIDXWAHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20F3NO5/c1-32-20-4-2-3-5-21(20)33-19-12-10-17(11-13-19)22(29)28(15-24(25,26)27)14-16-6-8-18(9-7-16)23(30)31/h2-13H,14-15H2,1H3,(H,30,31)
PubChem CID117903713
ChEMBLCHEMBL3901720
IUPHARN/A
BindingDB251725
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nM, NoneBindingDB,ChEMBL

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