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Molecular docking results of ZINC15675948 and known inhibitors 10058-F4, 10074-A4, and 10075-G5 (positive control) to c-MYC.
| Compound | Lowest Binding Energy (kcal/mol) | pKi (µM) | Amino Acids Interactions (Residues in H-Bond Bolded) |
|---|---|---|---|
| ZINC15675948 | −9.91 | 0.055 | Arg924, Asp926, Gln927, Tyr949, Ile950, Val953 |
| 10058-F4 | −4.92 | 247.03 ± 1.5 | Arg925, Gln927, Pro929, Leu931, Glu932 |
| 10074-A4 | −6.42 ± 0.01 | 19.53 ± 0.30 | Arg925, Asp926, Gln927 |
| 10074-G5 | −6.96 ± 0.01 | 7.93 ± 0.13 | Pro929, Pro930, Lys945, Ala948 |
