Figure 8.
Hydrogen bond interaction network of Aurora A kinase inhibitor complex (PDB code 3d15, has −Cl instead of the −CF3 group).(66) Atom-based contributions to the Scorpion scores are translated into a blue to red color scheme, with red indicating interaction hot spots (score contribution > 1.5). Gray indicates no score contribution. Total scores (network contributions) for the atoms with numbers are N1, 1.1 (0.2); C2, 1.6 (0.2); C3, 1.7 (0.3); N4, 0.8 (0.3); N5, 0.9 (0.4); O6, 0.7 (0.3); N7, 0.8 (0.3).