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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

NameCHEMBL3948456
Molecular formulaC25H24FNO4
IUPAC name4-[[[4-(2-fluorophenoxy)benzoyl]-(2-methylpropyl)amino]methyl]benzoic acid
Molecular weight421.468
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM251668
SCHEMBL16507095
US9464060, 4
ZINC584598184
Inchi KeyCMQWTHVXHRXUNC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24FNO4/c1-17(2)15-27(16-18-7-9-20(10-8-18)25(29)30)24(28)19-11-13-21(14-12-19)31-23-6-4-3-5-22(23)26/h3-14,17H,15-16H2,1-2H3,(H,29,30)
PubChem CID117903389
ChEMBLCHEMBL3948456
IUPHARN/A
BindingDB251668
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5049.0 nM, NoneBindingDB,ChEMBL

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