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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL3953068
Molecular formula	C29H33NO6
IUPAC name	2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(4-phenylbutyl)amino]methyl]phenoxy]acetic acid
Molecular weight	491.584
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.4
Synonyms	BDBM50195774 SCHEMBL708787
Inchi Key	BITAYMUUSWSMNW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H33NO6/c1-21-26(34-2)17-24(18-27(21)35-3)29(33)30(16-8-7-11-22-9-5-4-6-10-22)19-23-12-14-25(15-13-23)36-20-28(31)32/h4-6,9-10,12-15,17-18H,7-8,11,16,19-20H2,1-3H3,(H,31,32)
PubChem CID	66775150
ChEMBL	CHEMBL3953068
IUPHAR	N/A
BindingDB	50195774
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6600.0 nM	PMID27774128	BindingDB,ChEMBL

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