Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-3-[6-[4-[(4Z,7S,10S)-4-ethylidene-10-[(E)-4-(heptyldisulfanyl)but-1-enyl]-2,5,8,12-tetraoxo-9-oxa-16-thia-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-7-yl]butylamino]-6-oxohexyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate
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 PubChem ID
CID: 166626243
Canonical SMILES
CCCCCCCSSCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](CCCCNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(CC)c4ccc5c(cc(cc5c4C3(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c3c2ccc2c(cc(cc32)S(O)(=O)=O)S([O-])(=O)=O)C(=O)O1
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Compound Formula C70H87N7O18S7
Compound Structure
Protein Name
 Protein Info 
Histone deacetylase 1
Protein Classification
Epigenetic regulator
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Eraser
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Histone deacetylase
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HDAC class I
Uniprot ID
Q13547
Gene Name
HDAC1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8 nM
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