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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

NameCHEMBL3901754
Molecular formulaC28H30FNO5
IUPAC name2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[3-(3-fluorophenyl)propyl]amino]methyl]phenyl]acetic acid
Molecular weight479.548
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL707461
BDBM50195773
Inchi KeyHAUKBMHPQBUOMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30FNO5/c1-19-25(34-2)16-23(17-26(19)35-3)28(33)30(13-5-7-20-6-4-8-24(29)14-20)18-22-11-9-21(10-12-22)15-27(31)32/h4,6,8-12,14,16-17H,5,7,13,15,18H2,1-3H3,(H,31,32)
PubChem CID66774667
ChEMBLCHEMBL3901754
IUPHARN/A
BindingDB50195773
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50190.0 nMPMID27774128BindingDB,ChEMBL

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