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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	CHEMBL2182032
Molecular formula	C29H25F3N4O4
IUPAC name	1-[4-[4-[4-methyl-5-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight	550.538
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	5.9
Synonyms	GHKDKQCJENZFNI-GOSISDBHSA-N 1-(4'-{4-methyl-5-[(R)-1-(3-trifluoromethyl-phenyl)ethoxycarbonylamino]-[1,2,3]triazol-1-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid SCHEMBL16697516 BDBM50398097
Inchi Key	GHKDKQCJENZFNI-GOSISDBHSA-N
Inchi ID	InChI=1S/C29H25F3N4O4/c1-17-25(33-27(39)40-18(2)21-4-3-5-23(16-21)29(30,31)32)36(35-34-17)24-12-8-20(9-13-24)19-6-10-22(11-7-19)28(14-15-28)26(37)38/h3-13,16,18H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t18-/m1/s1
PubChem CID	71455702
ChEMBL	CHEMBL2182032
IUPHAR	N/A
BindingDB	50398097
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	174.0 nM	PMID22894757	BindingDB,ChEMBL

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