Brief Information of the Compound and Protein
Compound Name
2-ethoxyacetic acid [7-[(2-ethoxy-1-oxoethyl)amino]-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester
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PubChem ID
CID: 3319168
Canonical SMILES
CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12
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Compound Formula C27H33NO8S
Compound Structure
Protein Name
Isocitrate dehydrogenase [NADP] cytoplasmic
Protein Classification
Enzyme
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Oxidoreductase
Uniprot ID
O75874
Gene Name
IDH1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 73.1 nM
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