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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

NameCHEMBL3921376
Molecular formulaC26H24FNO5
IUPAC name4-[[cyclopropylmethyl-[4-(5-fluoro-2-methoxyphenoxy)benzoyl]amino]methyl]benzoic acid
Molecular weight449.478
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM251743
SCHEMBL16507258
US9464060, 79
Inchi KeyGGHASMDNUJBHLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FNO5/c1-32-23-13-10-21(27)14-24(23)33-22-11-8-19(9-12-22)25(29)28(15-17-2-3-17)16-18-4-6-20(7-5-18)26(30)31/h4-14,17H,2-3,15-16H2,1H3,(H,30,31)
PubChem CID117903528
ChEMBLCHEMBL3921376
IUPHARN/A
BindingDB251743
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5094.0 nM, NoneBindingDB,ChEMBL

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