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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

NameCHEMBL3890476
Molecular formulaC26H26FNO4
IUPAC name4-[[[4-(2-fluorophenoxy)benzoyl]-(3-methylbutyl)amino]methyl]benzoic acid
Molecular weight435.495
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsUS9464060, 8
ZINC584598431
BDBM251672
SCHEMBL16506883
Inchi KeyXGFDCDKWZWQHSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26FNO4/c1-18(2)15-16-28(17-19-7-9-21(10-8-19)26(30)31)25(29)20-11-13-22(14-12-20)32-24-6-4-3-5-23(24)27/h3-14,18H,15-17H2,1-2H3,(H,30,31)
PubChem CID117903251
ChEMBLCHEMBL3890476
IUPHARN/A
BindingDB251672
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5046.0 nM, NoneBindingDB,ChEMBL

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