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GPCR

NameLysophosphatidic acid receptor 1
SpeciesHomo sapiens (Human)
GeneLPAR1
Synonymlysophosphatidic acid receptor Edg-2
Lpar1
LPA1 receptor
Lysophosphatidic acid receptor Edg-2 {ECO:0000303|PubMed:9070858}
LPA-1
[ Show all ]
DiseaseIdiopathic pulmonary fibrosis
Length364
Amino acid sequenceMAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProtQ92633
Protein Data Bank4z36, 4z35, 4z34
GPCR-HGmod modelQ92633
3D structure modelThis structure is from PDB ID 4z36.
BioLiPBL0315557, BL0315553, BL0315554, BL0315555, BL0315556, BL0315558
Therapeutic Target DatabaseT92640
ChEMBLCHEMBL3819
IUPHAR272
DrugBankN/A

Ligand

NameCHEMBL3907299
Molecular formulaC23H20FN3O4
IUPAC name4-[[cyclopropylmethyl-[5-(2-fluorophenoxy)pyrimidine-2-carbonyl]amino]methyl]benzoic acid
Molecular weight421.428
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL16507194
US9464060, 83
BDBM251747
Inchi KeyTXROCRKOYMGIGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20FN3O4/c24-19-3-1-2-4-20(19)31-18-11-25-21(26-12-18)22(28)27(13-15-5-6-15)14-16-7-9-17(10-8-16)23(29)30/h1-4,7-12,15H,5-6,13-14H2,(H,29,30)
PubChem CID117903466
ChEMBLCHEMBL3907299
IUPHARN/A
BindingDB251747
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50540.0 nM, NoneBindingDB,ChEMBL

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