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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Lysophosphatidic acid receptor 1
Species	Rattus norvegicus (Rat)
Gene	Lpar1
Synonym	Lysophosphatidic acid receptor Edg-2 Lpar1 LPA1 receptor LPA-1 LPA receptor 1 GPR26 endothelial differentiation gene 2, lysophosphatidic acid G-protein-coupled receptor, 2 EDG2 VZG1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	364
Amino acid sequence	MAAASTSSPVISQPQFTAMNEQQCFYNESIAFFYNRSGKYLATEWNTVSKLVMGLGITVCVFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIDHCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIVCWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRNENPNGPTEGSDRSASSLNHTILAGVHSNDHSVV
UniProt	P61794
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4595
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL246929
Molecular formula	C22H21ClN2O5S
IUPAC name	3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoic acid
Molecular weight	460.929
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.1
Synonyms	3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid BDBM50211649 SCHEMBL4023283
Inchi Key	SDOSDDJQFQQVLN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
PubChem CID	11374611
ChEMBL	CHEMBL246929
IUPHAR	N/A
BindingDB	50211649
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	48.0 nM	PMID17467986	BindingDB,ChEMBL

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