Figure 8.

Predicted ligand binding poses. (A–C) Selected active compounds of the three different compound classes are depicted in the LRRK2 kinase ATP-binding pocket. Compounds shown are (A) Aminopurvalanol A (purine derivative), (B) JAK3 Inhibitor II (quinazoline derivative), and (C) SU6656 (oxindole derivative). LRRK2 kinase is given in cartoon and line representation, the ligands in stick representation. The blue dotted lines denote hydrogen bond interactions. The green dotted lines denote π —cation interactions. (D–F) Schematic representation of the interactions between the LRRK2 kinase active site and the compound from panels (A–C): (D) Aminopurvalanol A, (E) JAK3 Inhibitor II, and (F) SU6656. See box for the explanation of colors and arrows. Figures generated with MOE.