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. 2024 Oct 7;14(43):31607–31623. doi: 10.1039/d4ra06146b

The binding affinity (kcal mol−1) for the three promising compounds 1a, 8a and 13a and the native ligands in the CDK2 and GSK3β kinase domain.

Compound Binding affinity (kcal mol−1) CDK2 Binding affinity (kcal mol−1) GSK3β
1a −6.4 −5.5
8a −8.2 −7.8
13a −8.6 −8.0
AZD5438 −8.6
2WF −8.6