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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	CHEMBL181917
Molecular formula	C36H57N2O7P
IUPAC name	[(2S)-3-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight	660.833
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	8.4
Synonyms	BDBM50150009 Phosphoric acid mono-[(S)-3-[4-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethoxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi Key	IXNPTKKSRPZDOX-YHNXONRQSA-N
Inchi ID	InChI=1S/C36H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(39)38-32(27-45-46(40,41)42)25-31-21-23-33(24-22-31)44-28-34-30(3)36(43-4)29(2)26-37-34/h12-13,21-24,26,32H,5-11,14-20,25,27-28H2,1-4H3,(H,38,39)(H2,40,41,42)/b13-12-/t32-/m0/s1
PubChem CID	44392797
ChEMBL	CHEMBL181917
IUPHAR	N/A
BindingDB	50150009
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	3690.0 nM	PMID15225728	BindingDB,ChEMBL

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