Fig. 10

a, b 3D and 2D molecular docking results, respectively, for the reference molecule (PF-543) in SphK1. a Alkyl and pi-alkyl were removed, and the surface was optimized to atom charge. b 2D interaction diagram showing PF-543 docking pose interactions with the enzyme, including GLY26, and SER112 via conventional hydrogen bond. The figure was drawn by using MOE.2015 and Discovery Studio Visualizer