| | Drug | Binding affinity (kcal/mol) | H-bond | Residues |
| | α-Hederin | -11.0 | 6 | Val925, Val928, His1061, Pro926, Gly1166, Ala874, Leu970, Lys1062, Pro924 | | Andrographolide | -8.2 | 4 | Gln1020, Gly1021, Leu1143, Leu1142, Phe1071, Leu1092, Tyr1064 | | Asiatic acid | -8.9 | 2 | Gly1166, Val1123, Pro924, Pro926 | | Sinularin | -9.0 | 0 | Leu1143, Val1073, Leu1092, Leu1142, Tyr1064, Phe1071 | | Auricularic acid | -7.8 | 0 | Leu1092, Leu1143, His1126, Phe1071, Tyr1064 | | Apigenin | -7.7 | 3 | Asp927, Val928, Trp1164,Lys1124, Pro824, Pro926 | | Citrinin | -7.6 | 2 | Gln1020, Glu1066, Leu1092, Leu1142, leu1143, Phe1071, Tyr1064 | | Sclareol | -7.2 | 1 | Leu1142, Leu1092, leu1143, Phe1071, Tyr1064 | | Curcumin | -6.7 | 1 | Glu1066, leu1143, Phe1071, Tyr1064 | | Hispolon | -6.7 | 3 | Gly1166, Val925, Val928, Met875 | | 5-Fluorouracil | -5.0 | 3 | Val925, Val928, Asp927 |
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