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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Lysophosphatidic acid receptor 1
Species	Homo sapiens (Human)
Gene	LPAR1
Synonym	lysophosphatidic acid receptor Edg-2 Lpar1 LPA1 receptor Lysophosphatidic acid receptor Edg-2 {ECO:0000303\|PubMed:9070858} LPA-1 LPA receptor 1 GPR26 endothelial differentiation gene 2, lysophosphatidic acid G-protein-coupled receptor, 2 EDG2 VZG1 [ Show all ]
Disease	Idiopathic pulmonary fibrosis
Length	364
Amino acid sequence	MAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProt	Q92633
Protein Data Bank	4z36, 4z35, 4z34
GPCR-HGmod model	Q92633
3D structure model	This structure is from PDB ID 4z36.
BioLiP	BL0315557, BL0315553, BL0315554, BL0315555, BL0315556, BL0315558
Therapeutic Target Database	T92640
ChEMBL	CHEMBL3819
IUPHAR	272
DrugBank	N/A

Ligand

Name	CHEMBL3972525
Molecular formula	C24H21FN2O4
IUPAC name	4-[[cyclopropylmethyl-[5-(2-fluorophenoxy)pyridine-2-carbonyl]amino]methyl]benzoic acid
Molecular weight	420.44
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	US9464060, 77 BDBM251741 SCHEMBL16507454
Inchi Key	IGYITFLQCJEIPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21FN2O4/c25-20-3-1-2-4-22(20)31-19-11-12-21(26-13-19)23(28)27(14-16-5-6-16)15-17-7-9-18(10-8-17)24(29)30/h1-4,7-13,16H,5-6,14-15H2,(H,29,30)
PubChem CID	117903656
ChEMBL	CHEMBL3972525
IUPHAR	N/A
BindingDB	251741
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	86.0 nM	, None	BindingDB,ChEMBL

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