| | Drug | Binding affinity (kcal/mol) | H-bond | Residues |
| | α-Hederin | -8.3 | 2 | LYS48, MET51, ALA233, ILE352, ILE190, PHE37, TRP136, PHE193, PHE194, PHE355 | | Andrographolide | -9.2 | 4 | SER434, THR906, GLN475, LEU1176, ASN903, ARG905 | | Apigenin | -9.0 | 1 | TYR310, PHE728, PHE732, LEU339, PHE335, PHE759, LEU339 | | Auricularic acid | -8.5 | 1 | LYS234, ALA233, ILE352, ILE190, PHE37, PHE193, PHE194, PHE355 | | Asiatic acid | -8.1 | 3 | GLU564, SER1071, VAL1052, PHE512 | | Sinularin | -8.4 | 3 | GLN1118, GLU1119, SER1117, ALA529, LYS536 | | Curcumin | -8.3 | 3 | Arg905, Asp1171, Lys1172, Val168 | | Citrinin | -7.6 | 2 | Asp164, Arg905, Asp1124, Val168 | | Hispolon | -7.4 | 2 | His166, Phe904, Phe163, Thr1174 | | Thymoquinone | -7.4 | 1 | Phe904, PHE194, PHE355, Asp1124, Val168 | | 5-Fluorouracil | -5.2 | 4 | Arg905, Glu902, Ile901, Phe904, Phe163, Val168 |
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