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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	CHEMBL3121985
Molecular formula	C26H33N3O5S
IUPAC name	N-[(2S)-3-[2-ethyl-4-[5-(3-ethyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight	499.626
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.6
Synonyms	N/A
Inchi Key	AHMAZHQESFGFID-SFHVURJKSA-N
Inchi ID	InChI=1S/C26H33N3O5S/c1-4-16-11-17(10-15(3)23(16)33-14-18(31)12-27-22(32)13-30)25-28-26(34-29-25)24-20-9-7-6-8-19(20)21(5-2)35-24/h10-11,18,30-31H,4-9,12-14H2,1-3H3,(H,27,32)/t18-/m0/s1
PubChem CID	76318058
ChEMBL	CHEMBL3121985
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	172.0 nM	PMID24345087	ChEMBL
Emax	<85.0 %	PMID24345087	ChEMBL

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