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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	CHEMBL261872
Molecular formula	C17H14N2O4
IUPAC name	(Z)-4-(3-benzamidoanilino)-4-oxobut-2-enoic acid
Molecular weight	310.309
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	1.6
Synonyms	AB00113230-01 SCHEMBL19174293 SR-01000239753-1 4-{[3-(benzoylamino)phenyl]amino}-4-oxo-2-butenoic acid MLS000689930 AC1M330G SMR000298641 (Z)-4-(3-benzamidoanilino)-4-oxobut-2-enoic acid MolPort-002-213-708 BDBM50241460 SR-01000239753 4-(3-benzamidophenylamino)-4-oxobut-2-enoic acid HMS2628O20 [ Show all ]
Inchi Key	OASSLTKLNUAPCY-KTKRTIGZSA-N
Inchi ID	InChI=1S/C17H14N2O4/c20-15(9-10-16(21)22)18-13-7-4-8-14(11-13)19-17(23)12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,19,23)(H,21,22)/b10-9-
PubChem CID	2230607
ChEMBL	CHEMBL261872
IUPHAR	N/A
BindingDB	50241460
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	34.6 %	PMID18467108	ChEMBL

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