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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	36840-10-5
Molecular formula	C20H16N2O6
IUPAC name	(E)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoic acid
Molecular weight	380.356
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.4
Synonyms	3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid AKOS000485739 MolPort-001-823-423 4,4'-([1,1'-Biphenyl]-4,4'-diylbis(azanediyl))bis(4-oxobut-2-enoic acid) BDBM50271764 STK026581 2545AJ CHEMBL482497 ARONIS018656 SCHEMBL13381223 (2E,2'E)-4,4'-(biphenyl-4,4'-diyldiimino)bis(4-oxobut-2-enoic acid) 4,4'-[4,4'-biphenyldiyldi(imino)]bis(4-oxo-2-butenoic acid) BIM-0014380.P001 ZINC833024 3-[4''-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid AC1LL87D E,E-3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid 4,4'-(4,4'-Biphenyldiyldiimino)bis(4-oxo-2-butenoic acid) BAS 00548842 SMSF0004862 (E)-4-[4-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoic acid 4488-19-1 [ Show all ]
Inchi Key	FTLRWRKPUWMOMS-WGDLNXRISA-N
Inchi ID	InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
PubChem CID	1105689
ChEMBL	CHEMBL482497
IUPHAR	N/A
BindingDB	50271764
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Imax	59.0 %	PMID18467108	ChEMBL

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