Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R,4R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidine-3,4-diol
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 PubChem ID
CID: 137634788
Canonical SMILES
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1
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Compound Formula C26H29NO5S
Compound Structure
Protein Name
 Protein Info 
Sphingosine kinase 1
Protein Classification
Enzyme
Uniprot ID
Q9NYA1
Gene Name
SPHK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000980 MDA-1483
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.17 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.4 nM