3,5-Dinitrobenzoate and 3,5-Dinitrobenzamide Derivatives: Mechanistic, Antifungal, and In Silico Studies

Figure 2

The predicted binding modes of compound 2 to the MEP2 (left) and HSP90 (right) targets. Receptors are depicted in gray and the ligand in cyan. The non-carbon atoms are colored as red for oxygen, blue for nitrogen, and yellow for sulfur. Only residues interacting with compound 2 in more than 50% of the analyzed MD snapshots are labelled in the figure.