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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.
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GPCR

Name	Sphingosine 1-phosphate receptor 3
Species	Homo sapiens (Human)
Gene	S1PR3
Synonym	Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 [ Show all ]
Disease	Breast cancer
Length	378
Amino acid sequence	MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProt	Q99500
Protein Data Bank	N/A
GPCR-HGmod model	Q99500
3D structure model	This predicted structure model is from GPCR-EXP Q99500.
BioLiP	N/A
Therapeutic Target Database	T11241
ChEMBL	CHEMBL3892
IUPHAR	277
DrugBank	N/A

Ligand

Name	CHEMBL1779916
Molecular formula	C18H17NO2S
IUPAC name	N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
Molecular weight	311.399
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50344811 N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
Inchi Key	CMGSSJWKGPOZDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20)
PubChem CID	54583567
ChEMBL	CHEMBL1779916
IUPHAR	N/A
BindingDB	50344811
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	20.0 %	PMID21570287	ChEMBL

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