Fig. 11

a, b 3D and 2D molecular docking results, respectively, for the inhibitor SG14 in SphK1. a Alkyl and pi-alkyl were removed, and the surface was optimized to atom charge. b 2D interaction diagram showing SG14 docking pose interactions with the enzyme, including GLY113 and ARG191, via conventional hydrogen bond. The figure was drawn by using MOE.2015 and Discovery Studio Visualizer