Table 11.
The docking scores for the compound R5 against ALK5, ABL1, FYN, JAK1, MET, Tyro3, and Mer according to the GOLD, MOE, and AutoDock software.
| Kinase | Score (GOLD) | Score, kcal/mol (MOE) | ΔG, kcal/mol (AutoDock) |
|---|---|---|---|
| ALK5 | 93 | −8.5 | −12.3 |
| ABL1 | 109 | −9.0 | −11.3 |
| FYN | 94 | −8.5 | −9.0 |
| JAK1 | 96 | −8.8 | −7.7 |
| MET | 80 | −8.35 | −9.7 |
| Tyro3 | 110 | −9.0 | −14.1 |
| Mer | 95 | −9.0 | −7.3 |
The best binding scores are indicated in italics.