Fig. 3. Docking pose of quinoline analogue 41 (grey sticks) overlaid with the co-crystallized quinazoline derivative, UNC0224 (pink sticks; PDB ; 3K5K), in the G9a substrate binding pocket. Purple dashed lines display H-bonds. As expected, protonated the N-1 and 4-amino moiety of 41 were shown to interact with Asp1088 and Asp1083, respectively.