Table S2: 2D structures of known inhibitors []. Structure Structure Structure Structure Structure Compound3 Compound4 Compound5 Chemical formula: C18H13N2O4 Chemical formula: C19H15N2O3 Chemical formula: C18H16N3O4 Compound1 Compound2 Chemical formula: C14H9Br2N3O4 Chemical formula: C21H25N3O5 Compound6 Compound10 Chemical formula: C12H10N2O4 Chemical formula: C14H12N2O4 Compound7 Compound8 Compound9 Chemical formula: C18H14N2O2 Chemical formula: C13H9Br2N3O2 Chemical formula: C9H8Br1N3O3 Compound11 Compound12 Compound13 Compound14 Compound15 Chemical formula: C14H10Cl2N2O2 Chemical formula: C14H8I2N2O4 Chemical formula: C15H9Br2N3O4 Chemical formula: C14H11I2N3O2 Chemical formula: C12H10N2O5 Compound16 Compound17 Compound18 Compound19 Compound20 Chemical formula: C17H20N4O2 Chemical formula: C14H11N3O5 Chemical formula: C14H11Br2N3O2 Chemical formula: C14H9I2N3O4 Chemical formula: C13H10Br1N3O2 , Compound21 Compound22 Compound23 Chemical formula: C16H15Cl1N2O3 Chemical formula: C19H16N3O3 Chemical formula: C9H7Br2N3O3
Table S2: 2D structures of known inhibitors []. Structure Structure Structure Structure Structure Compound1 Chemical formula: C14H9Br2N3O4 Compound2 Chemical formula: C21H25N3O5 Compound3 Chemical formula: C18H13N2O4 Compound4 Chemical formula: C19H15N2O3 Compound5 Chemical formula: C18H16N3O4 Compound6 Chemical formula: C12H10N2O4 Compound7 Chemical formula: C18H14N2O2 Compound8 Chemical formula: C13H9Br2N3O2 Compound9 Chemical formula: C9H8Br1N3O3 Compound10 Chemical formula: C14H12N2O4 Compound11 Chemical formula: C14H10Cl2N2O2 Compound12 Chemical formula: C14H8I2N2O4 Compound13 Chemical formula: C15H9Br2N3O4 Compound14 Chemical formula: C14H11I2N3O2 Compound15 Chemical formula: C12H10N2O5 Compound16 Chemical formula: C17H20N4O2 Compound17 Chemical formula: C14H11N3O5 Compound18 Chemical formula: C14H11Br2N3O2 Compound19 Chemical formula: C14H9I2N3O4 Compound20 Chemical formula: C13H10Br1N3O2 , Compound21 Chemical formula: C16H15Cl1N2O3 Compound22 Chemical formula: C19H16N3O3 Compound23 Chemical formula: C9H7Br2N3O3