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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	CHEMBL119239
Molecular formula	C18H32NO5P
IUPAC name	3-[(3-hydroxy-4-octoxyphenyl)methylamino]propylphosphonic acid
Molecular weight	373.43
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.6
Synonyms	[3-(3-Hydroxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid BDBM50148417 SCHEMBL14195723
Inchi Key	BYMIMTPDQNLDHL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-12-24-18-10-9-16(14-17(18)20)15-19-11-8-13-25(21,22)23/h9-10,14,19-20H,2-8,11-13,15H2,1H3,(H2,21,22,23)
PubChem CID	10309271
ChEMBL	CHEMBL119239
IUPHAR	N/A
BindingDB	50148417
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	110.0 nM	PMID15177461	BindingDB,ChEMBL

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