Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-(2-cyano-4-methylphenyl)-N-[2-fluoro-4-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]-7-oxo-8-propan-2-ylpteridin-6-yl]phenyl]methanesulfonamide
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 PubChem ID
CID: 153634493
Canonical SMILES
CC(C)n1c2nc(N[C@@H]3CNC[C@@H](F)C3)ncc2nc(-c2ccc(NS(=O)(=O)Cc3ccc(C)cc3C#N)c(F)c2)c1=O
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Compound Formula C29H30F2N8O3S
Compound Structure
Protein Name
 Protein Info 
Serine/threonine-protein kinase/endoribonuclease IRE1
Protein Classification
Enzyme
Uniprot ID
O75460
Gene Name
ERN1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.09 nM
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