Table 3. Molecular Docking Results for Complexes MYC-I–MYC-VIII.
ligand code | energy (kcal mol–1) | H bond | amino acids | distance (Å) |
---|---|---|---|---|
I | –8.6 | 3 | Arg919, Ser920, and Phe921 | 2.69, 2.12, 1.80 |
II | –8.5 | 3 | Leu917, Arg919, and Ser920 | 1.91, 2.76, 2.92 |
III | –8.4 | 3 | Arg919, Ser920, and Phe921 | 2.03, 2.21, 2.02 |
IV | –8.3 | 3 | Arg919, Ser920, and Phe921 | 2.33, 2.16, 1.93 |
V | –8.3 | 3 | Arg919, Ser920, and Phe921 | 2.09, 2.29, 2.29 |
VI | –8.3 | 3 | Arg919, Ser920, and Phe921 | 2.33, 2.22, 2.29 |
VII | –8.3 | 3 | Arg919, Ser920, and Phe921 | 2.10, 2.17, 2.13 |
VIII | –8.3 | 2 | Ser920 and Glu935 | 2.88, 2.71 |