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. Author manuscript; available in PMC: 2014 Oct 10.
Published in final edited form as: J Med Chem. 2013 Sep 30;56(19):10.1021/jm401067s. doi: 10.1021/jm401067s

Figure 4. Predicted binding modes of inhibitors in Tc CYP51.

Figure 4

Binding modes of 27l (A), 27s (B), 27k (C), and 27r (D) resulting from molecular docking using Glide XP. Inhibitors are in stick mode colored by atom type: carbon in yellow, oxygen in red, nitrogen in blue, fluorine in cyan, hydrogen on the tertiary amino group of 27s is in gray. The protein is shown as a semi-transparent gray surface; heme is displayed as orange spheres.