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Binding poses of quinazoline-2,4-dione 4b (carbon atoms are shown gold) and its charged counterpart 4b·2HBr (carbon atoms are shown in magenta) inside active site gorges of (A) hAChE and (B) hBChE. Yellow, dashed lines represent hydrogen bonds, orange represents π–π stacking interactions, and blue lines are ionic and π–cation interactions. The catalytic triads of the enzymes are shown with yellow carbon atoms.
