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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	CHEMBL265967
Molecular formula	C34H53N2O7P
IUPAC name	[(2R)-3-[4-[(4-methoxypyridin-2-yl)methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight	632.779
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	7.7
Synonyms	BDBM50150010 Phosphoric acid mono-[(R)-3-[4-(4-methoxy-pyridin-2-ylmethoxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi Key	CSOSUEZLFQTTOC-SCKSCLOGSA-N
Inchi ID	InChI=1S/C34H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(37)36-31(28-43-44(38,39)40)25-29-19-21-32(22-20-29)42-27-30-26-33(41-2)23-24-35-30/h10-11,19-24,26,31H,3-9,12-18,25,27-28H2,1-2H3,(H,36,37)(H2,38,39,40)/b11-10-/t31-/m1/s1
PubChem CID	44392791
ChEMBL	CHEMBL265967
IUPHAR	N/A
BindingDB	50150010
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	6250.0 nM	PMID15225728	BindingDB,ChEMBL

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