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. 2021 Jul 6;36(1):1357–1369. doi: 10.1080/14756366.2021.1916010

Figure 4.

Figure 4.

Interactions between the active site residues and compound 24 as it maintains its binding conformation. Both an active site-bound water molecule and a chloride ion are visible. Hydrogen bonds are represented by yellow, π–π stackings by blue, cation-π interactions by green and ionic bonds by purple dashed lines. The grey area represents the inner surface of the binding site. Some atoms of active site residues are not shown for clearer view on interactions.