Figure 3. Docking of test compounds into the active site of CYP17A1. A – abiraterone 1 (cyan, ΔG = -9.3 kcal/mol), galeterone 2 (blue, ΔG = -12.9 kcal/mol); B – oxazolines 3 (blue, ΔG = -9.3 kcal/mol) and 6 (cyan, ΔG = -9.2 kcal/mol); C – benzoxazoles 4 (blue, ΔG = -10.5 kcal/mol) and 7 (cyan, ΔG = -8.2 kcal/mol); D – benzimidazoles 5 (blue, ΔG = -10.7 kcal/mol) and 6 (cyan, ΔG = -8.3 kcal/mol).