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. 2024 May 23;67(11):9124–9149. doi: 10.1021/acs.jmedchem.4c00268

Figure 4.

Figure 4

Docking poses of CPK4 (A), CPK13 (B), CPK16 (C), CPK18 (D), and CPK20 (E). KCNT1 subunits are depicted in gray, gold, white, and blue cartoons and sticks, while ligands are represented as yellow sticks. Direct H-bonds are represented as magenta dashed lines, water-mediated H-bonds as orange dashed lines, and π–π stacking interactions as green dashed lines. In every panel, for reference, F312 and F346 are always shown as sticks and the experimental bound conformation of C23 is shown in white transparent sticks.