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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

NameCHEMBL3900559
Molecular formulaC29H24FNO5
IUPAC name4-[[[4-(2-fluorophenoxy)benzoyl]-[(3-methoxyphenyl)methyl]amino]methyl]benzoic acid
Molecular weight485.511
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL16506848
BDBM251677
US9464060, 13
Inchi KeyBETITZCZDCWBIT-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H24FNO5/c1-35-25-6-4-5-21(17-25)19-31(18-20-9-11-23(12-10-20)29(33)34)28(32)22-13-15-24(16-14-22)36-27-8-3-2-7-26(27)30/h2-17H,18-19H2,1H3,(H,33,34)
PubChem CID117903216
ChEMBLCHEMBL3900559
IUPHARN/A
BindingDB251677
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nM, NoneBindingDB,ChEMBL

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