Table 3.
Docking energy scores (S) for pyridazines 11a–r and the co-crystallized ligand Roniciclib (in in kcal/mol).
| Cpd. | Energy score (S) Kcal\mole | Cpd. | Energy score (S) Kcal\mole |
|---|---|---|---|
| 11a | −8.1 | 11j | −8.3 |
| 11b | −8.0 | 11k | −8.7 |
| 11c | −8.2 | 11l | −9.5 |
| 11d | −7.9 | 11m | −10.2 |
| 11e | −9.0 | 11n | −8.6 |
| 11f | −8.3 | 11o | −8.0 |
| 11g | −7.9 | 11p | −8.7 |
| 11h | −10.1 | 11q | −8.2 |
| 11i | −8.5 | 11r | −8.4 |
| Roniciclib | −9.2 |
Bold values are for pyridazines with best docking energy scores.