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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	CHEMBL2182030
Molecular formula	C28H25FN4O4
IUPAC name	1-[4-[4-[5-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight	500.53
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50398122 DHWSJRFMKGNOLK-GOSISDBHSA-N 1-(4'-{5-[(R)-1-(2-fluoro-phenyl)ethoxycarbonylamino]-4-methyl-[1,2,3]triazol-1-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid SCHEMBL16697769
Inchi Key	DHWSJRFMKGNOLK-GOSISDBHSA-N
Inchi ID	InChI=1S/C28H25FN4O4/c1-17-25(30-27(36)37-18(2)23-5-3-4-6-24(23)29)33(32-31-17)22-13-9-20(10-14-22)19-7-11-21(12-8-19)28(15-16-28)26(34)35/h3-14,18H,15-16H2,1-2H3,(H,30,36)(H,34,35)/t18-/m1/s1
PubChem CID	71461120
ChEMBL	CHEMBL2182030
IUPHAR	N/A
BindingDB	50398122
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	34.5 nM	PMID22894757	ChEMBL
IC50	35.0 nM	PMID22894757	BindingDB

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