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. 2023 Aug 30;38(1):2250575. doi: 10.1080/14756366.2023.2250575

Table 3.

Binding energy results in kcal/mol for the tested hybrids versus the co-crystallised ligands.

Compound DprE1 (pdb: 4KW5)
Energy score (kcal/mol)
TMPKmt (pdb: 1W2H)
Energy score (kcal/mol)
5c −21.5 −19.7
15 −19.8 −18.4
The co-crystallised ligand −20.3 −17.9