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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL118783
Molecular formula	C18H31BrNO5P
IUPAC name	3-[(3-bromo-4-heptoxy-5-methoxyphenyl)methylamino]propylphosphonic acid
Molecular weight	452.326
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.1
Synonyms	[3-(3-Bromo-4-heptyloxy-5-methoxy-benzylamino)-propyl]-phosphonic acid BDBM50148423 SCHEMBL14195701
Inchi Key	DQXSYKMXKITFAL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H31BrNO5P/c1-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)24-2)14-20-9-8-11-26(21,22)23/h12-13,20H,3-11,14H2,1-2H3,(H2,21,22,23)
PubChem CID	10288370
ChEMBL	CHEMBL118783
IUPHAR	N/A
BindingDB	50148423
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	<10000.0 nM	PMID15177461	BindingDB,ChEMBL

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