Figure 4. π stacking by two of the quinoline rings of SMNPI4 results in two feasible binding modes. Colors, stick thicknesses, and dashed lines are as indicated in Figure 3. (A) The inhibitor docked with the chloro substituents of theπ stacking quinoline rings facing into the substrate binding cleft. (B) An alternative binding mode with one of theπ stacking quinolines oriented in the opposite direction.
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