Figure 3.

Predicted binding modes with respect to the hinge region for six high-ranking core fragments (A–F) for which binding to protein kinases was not reported in the literature. Only the most frequent binding mode for each core fragment is shown. The substitution points that target the hydrophobic pockets I and II and that have been selected for diversifying the cores are indicated as R₁ and R₂, respectively. (The binding sites are oriented as depicted in Figure 1a.)