TABLE 2.

IC₅₀ values of 1,2-dithiole-3-(thi)one inhibitors for ecFabH

Inhibitor	IC50 (μM)a	FlexX energy scores with ecFabH (kcal/mol)b
1	6.9 ± 2.9	−16.0
2	6.0 ± 1.5	−17.0
3	5.7 ± 0.4	−10.4
4	29.0 ± 15.0	−3.7
5	2.0 ± 0.1	−3.6
6	1.0 ± 0.1	NC
7	>100	NC
8	31.7 ± 8.7	NC
10	35.8 ± 3.2	NC
11	>100	NC

^aAssays for IC₅₀ values were conducted with a 15-min preincubation.

^bNC, not calculated.