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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

NameCHEMBL3961765
Molecular formulaC25H25NO5
IUPAC name4-[[[4-(2-methoxyphenoxy)benzoyl]-propylamino]methyl]benzoic acid
Molecular weight419.477
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL16507475
BDBM251726
ZINC584598225
US9464060, 62
Inchi KeyHDFMOQYPAALHKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25NO5/c1-3-16-26(17-18-8-10-20(11-9-18)25(28)29)24(27)19-12-14-21(15-13-19)31-23-7-5-4-6-22(23)30-2/h4-15H,3,16-17H2,1-2H3,(H,28,29)
PubChem CID117903675
ChEMBLCHEMBL3961765
IUPHARN/A
BindingDB251726
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.0 nM, NoneBindingDB,ChEMBL

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