Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9241942, 38-4
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Canonical SMILES
COc1cc(cc(\C=N\CCSSCC\N=C\c2cc(cc(OC)c2O)-c2cccs2)c1O)-c1ccco1
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Compound Formula C28H28N2O5S3
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1348 nM