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. Author manuscript; available in PMC: 2014 Jul 1.
Published in final edited form as: Medchemcomm. 2013 May 29;4(7):1099–1104. doi: 10.1039/C3MD00085K

Table 1.

Mtb Dxr IC50 values and GScores of amide and O-linked ligands

graphic file with name nihms488621t1.jpg
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.