Brief Information of the Compound and Protein
Compound Name
MLS003107612
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PubChem ID
CID: 46903212
Canonical SMILES
CCCCCCNC(=O)O[C@H]1Cn2n([C@H](CN(CC#C)S(=O)(=O)c3ccc(C)cc3)[C@H]1OC(=O)NCCCCCC)c(=O)ccc2=O
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Compound Formula C33H47N5O8S
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 ~ 4610.9 nM
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