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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	CHEMBL3133594
Molecular formula	C21H25N2O7P
IUPAC name	[2-amino-2-(hydroxymethyl)-4-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]phenyl]butyl] dihydrogen phosphate
Molecular weight	448.412
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	-1.3
Synonyms	N/A
Inchi Key	AOHVUVDBUKONAU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N2O7P/c1-15-23-20(12-28-15)17-4-8-19(9-5-17)30-18-6-2-16(3-7-18)10-11-21(22,13-24)14-29-31(25,26)27/h2-9,12,24H,10-11,13-14,22H2,1H3,(H2,25,26,27)
PubChem CID	73333750
ChEMBL	CHEMBL3133594
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	1273.0 nM	MedChemComm, (2013) 4:9:1267	ChEMBL

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