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GLASS

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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	AM095 free acid
Molecular formula	C27H24N2O5
IUPAC name	2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
Molecular weight	456.498
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.0
Synonyms	HY-16040 W-5973 AM 095 BDBM50398127 LPA1 antagonists (fibrotic disease), Amira {4'-[3-Methyl-4-((R)-1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-biphenyl-4-yl}-acetic acid 2-(4-{4-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl]phenyl}phenyl)acetic acid AM-095 free acid CS-1129 EX-A1955 NCGC00378906-02 KB-63701 ZINC68247723 AM-095 Lysophosphatidic acid antagonists (fibrotic disease), Amira {4'-[3-Methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl][1,1'-biphenyl]-4-yl}acetic acid 2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid AM-152) D06XGC GTPL6988 SCHEMBL2288084 AKOS030525392 BCP09983 LNDDRUPAICPXIN-GOSISDBHSA-N [1,1'-Biphenyl]-4acetic acid,4'-[3-methyl-4-[[[(1R)-1-phenylethoxy]carbonyl]amino]-5-isoxazolyl]- 1228690-36-5 AM-095 (free base) CHEMBL2182052 MolPort-042-665-859 AM095 (free acid) DTXSID10673108 [ Show all ]
Inchi Key	LNDDRUPAICPXIN-GOSISDBHSA-N
Inchi ID	InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1
PubChem CID	46213949
ChEMBL	CHEMBL2182052
IUPHAR	6988
BindingDB	50398127
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	11.0 %	MedChemComm, (2015) 6:6:1149	ChEMBL
IC50	25.0 nM	MedChemComm, (2015) 6:1:13	ChEMBL
IC50	150.0 nM	PMID22894757	BindingDB,ChEMBL
IC50	794.328 - 1000.0 nM	PMID21159750	IUPHAR

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