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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

NameCHEMBL3981813
Molecular formulaC27H29NO6
IUPAC name2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(2-phenylethyl)amino]methyl]phenoxy]acetic acid
Molecular weight463.53
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL708247
BDBM50195573
Inchi KeyFDORZHLISAVKJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29NO6/c1-19-24(32-2)15-22(16-25(19)33-3)27(31)28(14-13-20-7-5-4-6-8-20)17-21-9-11-23(12-10-21)34-18-26(29)30/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,29,30)
PubChem CID66774954
ChEMBLCHEMBL3981813
IUPHARN/A
BindingDB50195573
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID27774128BindingDB,ChEMBL

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