Fig. 3

TBK1 was identified as the binding target of FDA-approved drugs. A A summary of the published TBK1 binding affinity measurements of AMX, R406, and R788. B The global (left) and local (right) schematics illustrate the interaction between R406 and SYK by co-crystal structure (PDB: 3FQS) [48]. C Molecular docking model showing the global (left) and local (right) interactions between R406 and TBK1 (PDB: 4IM0) (predicted free energy: − 9.4 kcal/mol) (hydrogen bonds were depicted by solid blue line). D Molecular docking model showing the global (left) and local (right) interactions between R788 and TBK1 (PDB: 4IM0) (predicted free energy: − 8.9 kcal/mol) (hydrogen bonds were depicted by solid blue line, hydrophobic interactions were depicted by black dash lines, halogen bonds were depicted by solid green lines, and salt bridges were depicted by yellow dash lines). E The amino acid sequence comparison between SYK and TBK1 kinase domains