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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	VPC32183
Molecular formula	C33H51N2O6P
IUPAC name	[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(pyridin-3-ylmethoxy)phenyl]propyl] dihydrogen phosphate
Molecular weight	602.753
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	7.7
Synonyms	Phosphoric acid mono-{(R)-2-((Z)-octadec-9-enoylamino)-3-[4-(pyridin-3-ylmethoxy)-phenyl]-propyl} ester D0S6CW CHEMBL184055 (9Z)-octadec-9-enamido]-3-[4-(pyridin-3-ylmethoxy)phenyl]propoxy]phosphonic acid GTPL2908 BDBM50150002 compound 10t [PMID: 15125924] [ Show all ]
Inchi Key	KMTDWYLEJRZIJN-HWNQJZBBSA-N
Inchi ID	InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(36)35-31(28-41-42(37,38)39)25-29-20-22-32(23-21-29)40-27-30-18-17-24-34-26-30/h9-10,17-18,20-24,26,31H,2-8,11-16,19,25,27-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
PubChem CID	44392752
ChEMBL	CHEMBL184055
IUPHAR	2908
BindingDB	50150002
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	992.0 nM	PMID15225728	BindingDB,ChEMBL
Ki	17.7828 nM	PMID15125924	IUPHAR

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