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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

NameCHEMBL2182057
Molecular formulaC19H17ClFN3O2
IUPAC name1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-2-methylpyrazol-3-yl]carbamate
Molecular weight373.812
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50398107
SCHEMBL17077088
Inchi KeyGHHHFOOMBYUUEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClFN3O2/c1-12(15-5-3-4-6-17(15)20)26-19(25)23-18-16(11-22-24(18)2)13-7-9-14(21)10-8-13/h3-12H,1-2H3,(H,23,25)
PubChem CID71461124
ChEMBLCHEMBL2182057
IUPHARN/A
BindingDB50398107
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503970.0 nMPMID22894757BindingDB,ChEMBL
Inhibition<97.0 %PMID22894757ChEMBL

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