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. 2023 Aug 18;13:13456. doi: 10.1038/s41598-023-40669-6

Table 2.

Summary of binding energies, amino acid interaction, and hydrogen bond length of 4l and TAE226 in the ATP binding pocket of FAK kinase domain.

Compounds Binding energy (kcal/mol) Amino acid residues H-bond length (Å)
4l  − 80.4351 CYS502 2.90
TAE226  − 134.047 ASP564, CYS502 2.06, 1.76