Table 1.
Mtb Dxr IC50 values and GScores of amide and O-linked ligands
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---|---|---|---|
compd | R1 | R2 | IC50 (µM) |
1 | H | H | 0.3116 |
2 | H | CH3 | 2.39 |
3 | (CH2)2Ph | CH3 | (81.5)* |
4 | (CH2)3Ph | CH3 | (77.5)* |
5 | 4-ipr-benzyl | CH3 | 48.4 |
6 | CH2cyclohexyl | CH3 | (83.5)* |
7 | H | CH2Ph | 26.9 |
8 | H | (CH2)3Ph | 17.8 |
9 | H | cyclohexyl | (80.0)* |
Values in parentheses are percent remaining enzyme activity at 100 µM.