Figure 2

(A) The binding mode of the most active compound (3n) is shown. The ligand is depicted in cyan ball and stick model, interacting residues are demonstrated in magenta stick model, and hydrogen bonds are presented in black dotted lines. (B) The docked conformations of all the active ligands are displayed in the active site of CA-II. Ligands are presented in magenta color, the active site residues are shown in orange stick, H-bonds are depicted in black dotted lines. The protein in shown in surface model.