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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	CHEMBL187692
Molecular formula	C21H44NO2P
IUPAC name	methyl-[2-(6-tridecylpiperidin-2-yl)ethyl]phosphinic acid
Molecular weight	373.562
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM50152323 Methyl-[2-(6-tridecyl-piperidin-2-yl)-ethyl]-phosphinic acid
Inchi Key	CDEPDWBJGIUHRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H44NO2P/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21(22-20)18-19-25(2,23)24/h20-22H,3-19H2,1-2H3,(H,23,24)
PubChem CID	44394212
ChEMBL	CHEMBL187692
IUPHAR	N/A
BindingDB	50152323
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	7.0 nM	PMID15341940	BindingDB,ChEMBL
IC50	8.2 nM	PMID15341940	BindingDB
IC50	8.2 nM	PMID15341940	ChEMBL

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