Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
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 PubChem ID
CID: 649032
Canonical SMILES
CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12
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Compound Formula C17H23N7O3S2
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 3162.3 nM
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