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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	CHEMBL246734
Molecular formula	C25H27ClN2O5
IUPAC name	5-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]-3,3-dimethylpentanoic acid
Molecular weight	470.95
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.6
Synonyms	5-(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}phenyl)-3,3-dimethylpentanoic Acid VCTGKBNGUMRKTK-UHFFFAOYSA-N 5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenyl)-3,3-dimethylpentanoic acid BDBM50211654 SCHEMBL4027616
Inchi Key	VCTGKBNGUMRKTK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)
PubChem CID	44441096
ChEMBL	CHEMBL246734
IUPHAR	N/A
BindingDB	50211654
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	370.0 nM	PMID17467986	BindingDB,ChEMBL

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