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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

NameCHEMBL3896384
Molecular formulaC24H19F4NO4
IUPAC name4-[[[4-(2-fluorophenoxy)benzoyl]-(3,3,3-trifluoropropyl)amino]methyl]benzoic acid
Molecular weight461.413
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL16507056
US9464060, 71
BDBM251735
Inchi KeyOZBNMNTVTKQCSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19F4NO4/c25-20-3-1-2-4-21(20)33-19-11-9-17(10-12-19)22(30)29(14-13-24(26,27)28)15-16-5-7-18(8-6-16)23(31)32/h1-12H,13-15H2,(H,31,32)
PubChem CID117903361
ChEMBLCHEMBL3896384
IUPHARN/A
BindingDB251735
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5059.0 nM, NoneBindingDB,ChEMBL

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