Skip to main content
. 2020 Aug 11;35(1):1616–1630. doi: 10.1080/14756366.2020.1806259

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.