| | Drug | Binding affinity (kcal/mol) | No. of H-bond | Residues |
| | Sclareol | -9.8 | 1 | Lys1702, Leu1657, Leu1679, Pre1662, Pro1659, Val1654 | | Hispolon | -7.8 | 2 | Arg1758, Arg1762, Ile1760, Ser1755 | | Citrinin | -7.5 | 2 | Val1654, leu1657, Phe1662 | | Curcumin | -7.2 | 1 | leu1657, Phe1662 | | α-Hederin | -6.9 | 2 | VAL1810, GLU1836, PRO1812, ILE1855, PHE1821, HIS1822 | | Andrographolide | -6.2 | 2 | PRO1659, LEU1657, PHE1662 | | Apigenin | -5.8 | 1 | LEU1657, PHE1662, VAL1654, PRO1659 | | Auricularic acid | -6.2 | 0 | PHE1662, VAL1654, PRO1659 | | Sinularin | -6.8 | 1 | LEU1657, PHE1662 | | Asiatic acid | -6.5 | 2 | Leu1657, Lys1702, Phe1662 | | 5-Fluorouracil | -4.5 | 4 | Gly1656, Leu1657, Lys1702, Val1654, Phe1662 |
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