Figure 6.

Binding mode analysis of compound 4t within CDK2 kinase (ribbon representation, PDB code: 3SW7). The docking images were generated by the PyMOL molecular graphics system. The key amino acids of CDK2 are labelled, and hydrogen bonds in all panels are depicted by yellow dotted lines. (A) The binding pose of compound 4t (grey stick model) in the CDK2. (B) The binding pose of the ligand 19K (cyan stick model) in the CDK2. (C) Comparison of the binding poses of 4t and the ligand 19K within CDK2. The electron density of studied compounds is surfaced by the mesh.