Figure 3
From: 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors
Crystal structures showing the binding mode of (a) 10 (PDB code 4BU3)18, (b) 13, (c) 14, and (d) 15 to TNKS2 catalytic domain. The C-ring contains either the amino, hydroxyl or methoxy group in ortho- or meta-position. The compounds which have a meta-substitution are found in double conformations in the crystal structures. Black dashed lines represent hydrogen bonds and red spheres represent water molecules. Sigma A weighted 2Fo – Fc electron density map around the ligands is contoured at 1.5 σ.
