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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	CHEMBL482498
Molecular formula	C26H20N2O8
IUPAC name	(E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid
Molecular weight	488.452
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.9
Synonyms	(E)-4-[4-[3-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid STK155992 BDBM50271765 3-(4-{3-[4-(3-Carboxy-acryloylamino)-phenoxy]-phenoxy}-phenylcarbamoyl)-acrylic acid AC1M4JFJ ZINC2924824 (2E,2'E)-4,4'-[benzene-1,3-diylbis(oxybenzene-4,1-diylimino)]bis(4-oxobut-2-enoic acid) BIM-0026004.P001 4,4''-(4,4''-(1,3-phenylenebis(oxy))bis(4,1-phenylene))bis(azanediyl)bis(4-oxobut-2-enoic acid) MolPort-001-015-587 AKOS003244689 [ Show all ]
Inchi Key	HZFPOTBCYPWQSH-QUMQEAAQSA-N
Inchi ID	InChI=1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12+,15-13+
PubChem CID	2260227
ChEMBL	CHEMBL482498
IUPHAR	N/A
BindingDB	50271765
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	27354.0 nM	PMID18467108, PMID19800804	BindingDB,ChEMBL
Ki	13470.0 nM	PMID18467108	BindingDB,ChEMBL

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