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The active site of hMAO-B showing the docked poses of compound 13 (A) and compound 16 (B) with Ile199 rotated into the open conformation. A hydrogen bond between the carbonyl oxygen and the SH of Cys172 is shown as a green line. In addition, the nitro group forms a hydrogen bond with one of the binding site water molecules. Key binding site residues are shown in stick representation.
