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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	CHEMBL313413
Molecular formula	C36H54NO6P
IUPAC name	[(2R)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight	627.803
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	9.3
Synonyms	BDBM50146250 Phosphoric acid mono-[(R)-3-[4-(indan-2-yloxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi Key	BOXVNLGAMFTXKL-KJINXXHRSA-N
Inchi ID	InChI=1S/C36H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36(38)37-33(29-42-44(39,40)41)26-30-22-24-34(25-23-30)43-35-27-31-19-17-18-20-32(31)28-35/h9-10,17-20,22-25,33,35H,2-8,11-16,21,26-29H2,1H3,(H,37,38)(H2,39,40,41)/b10-9-/t33-/m1/s1
PubChem CID	44325401
ChEMBL	CHEMBL313413
IUPHAR	N/A
BindingDB	50146250
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	2930.0 nM	PMID15125924	BindingDB,ChEMBL
Ki	134.0 nM	PMID15125924	BindingDB,ChEMBL

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