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. 2023 Jun 8;38(1):2220579. doi: 10.1080/14756366.2023.2220579

Table 5.

The docking binding free energies of the synthesised compounds against EGFRWT and EGFRT790M.

Comp. Binding free energy (kcal/mol)
EGFRWT EGFRT790M
5a −17.54 −16.01
5b −17.22 −16.08
5c −18.64 −17.27
5d −17.41 −16.27
6 −18.81 −17.61
7a −15.02 −12.95
5e −19.84 −16.11
5f −17.49 −17.37
7b −12.87 −12.29
8 −26.27 −21.08
Erlotinib −23.94
TAK-285 −21.55