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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

NameCHEMBL3897650
Molecular formulaC24H23N3O5
IUPAC name4-[[cyclopropylmethyl-[5-(2-methoxyphenoxy)pyrimidine-2-carbonyl]amino]methyl]benzoic acid
Molecular weight433.464
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsUS9464060, 84
BDBM251748
SCHEMBL16507473
Inchi KeySGNXTFIPFVFVIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N3O5/c1-31-20-4-2-3-5-21(20)32-19-12-25-22(26-13-19)23(28)27(14-16-6-7-16)15-17-8-10-18(11-9-17)24(29)30/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,29,30)
PubChem CID117903673
ChEMBLCHEMBL3897650
IUPHARN/A
BindingDB251748
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50170.0 nM, NoneBindingDB,ChEMBL

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