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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	CHEMBL94245
Molecular formula	C34H51N2O7P
IUPAC name	[4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxypropyl]phenyl] 4-aminobenzoate
Molecular weight	630.763
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	8.0
Synonyms	BDBM50146245 SCHEMBL13109855 4-Amino-benzoic acid 4-[(S)-2-((Z)-octadec-9-enoylamino)-3-phosphonooxy-propyl]-phenyl ester
Inchi Key	GQBOJFXZYOHVSW-KKUMVYOXSA-N
Inchi ID	InChI=1S/C34H51N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(37)36-31(27-42-44(39,40)41)26-28-18-24-32(25-19-28)43-34(38)29-20-22-30(35)23-21-29/h9-10,18-25,31H,2-8,11-17,26-27,35H2,1H3,(H,36,37)(H2,39,40,41)/b10-9-/t31-/m0/s1
PubChem CID	44325416
ChEMBL	CHEMBL94245
IUPHAR	N/A
BindingDB	50146245
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	<10000.0 nM	PMID15125924	BindingDB,ChEMBL

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