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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	CHEMBL182446
Molecular formula	C36H57N2O8P
IUPAC name	[(2R)-3-[4-[[4-(2-methoxyethoxy)pyridin-2-yl]methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight	676.832
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	7.5
Synonyms	BDBM50150000 Phosphoric acid mono-[(R)-3-{4-[4-(2-methoxy-ethoxy)-pyridin-2-ylmethoxy]-phenyl}-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi Key	CSFMYMIHKKPMPF-NFYUYZAESA-N
Inchi ID	InChI=1S/C36H57N2O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(39)38-33(30-46-47(40,41)42)27-31-19-21-34(22-20-31)45-29-32-28-35(23-24-37-32)44-26-25-43-2/h10-11,19-24,28,33H,3-9,12-18,25-27,29-30H2,1-2H3,(H,38,39)(H2,40,41,42)/b11-10-/t33-/m1/s1
PubChem CID	44392795
ChEMBL	CHEMBL182446
IUPHAR	N/A
BindingDB	50150000
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	114.0 nM	PMID15225728	BindingDB,ChEMBL
Ki	35.0 nM	PMID15225728	BindingDB,ChEMBL

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