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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

NameCHEMBL3959098
Molecular formulaC23H17F4NO4
IUPAC name4-[[[4-(2-fluorophenoxy)benzoyl]-(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
Molecular weight447.386
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL16506846
BDBM251667
US9464060, 3
Inchi KeyIEJGGFJTLXGJPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17F4NO4/c24-19-3-1-2-4-20(19)32-18-11-9-16(10-12-18)21(29)28(14-23(25,26)27)13-15-5-7-17(8-6-15)22(30)31/h1-12H,13-14H2,(H,30,31)
PubChem CID117903214
ChEMBLCHEMBL3959098
IUPHARN/A
BindingDB251667
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5035.0 nM, NoneBindingDB,ChEMBL

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