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(A) Representation of three-dimensional structure of acetylcholinesterase (shown as solvent accessible surface), showing gorge and specific parts of active site (catalytic triad: blue, OAH: yellow, PAS: orange, ABS: green). (B) Example of interactions between docked molecule of 6i and amino acid residues within active site gorge. The interacting atoms and amino acid residues are depicted; other parts of the active site gorge are omitted for clarity.
