Brief Information of the Compound and Protein
Compound Name
N-[4-[2-[[4-(dimethylamino)cyclohexyl]amino]-7-oxo-8-propan-2-ylpteridin-6-yl]-2,6-difluorophenyl]-1-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
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Canonical SMILES
CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)N(C)C)ncc2nc(-c2cc(F)c(NS(=O)(=O)CC3(CC3)C(F)(F)F)c(F)c2)c1=O
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Compound Formula C28H34F5N7O3S
Compound Structure
Protein Name
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 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.1 nM
   TI
   LI
   LO
   TS