Table 1 The parent structures of compounds 1–4 and their IC50 values.

From: In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease

Compound ID Parent structure Compound name IC50 for TcSpdSyn (μM)
1 2-(2-Fluorophenyl)ethanamine 124
2 2-[(4,6-dihydroxy-1,3,5-triazin-2-yl)amino]-4H-1,3-benzothiazin-4-one 28
3 2-(5-Ethoxy-1-ethyl-1H-indol-3-yl)ethanamine 113
4 4-(2-Aminoethyl)-1,2-benzenediol 66
4MCHA trans-4-methylcyclohexylamine 1.9
  1. These IC50 values were determined from fitting curve in Supplementary Figure 3. Compound name is taken from the following Web site: http://www.chemspider.com/StructureSearch.aspx.