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. 2021 Jul 26;16(19):3083–3093. doi: 10.1002/cmdc.202100396

Figure 4.

Figure 4

Plausible binding modes for inhibitors 23 (Panel A), 25 (Panel B) and 26 (Panel C) docked into the AbTYR binding site (PDB code 2Y9X). Compound 23 is displayed as yellow sticks, while compounds 25 and 26 are represented as magenta and orange sticks, respectively. The amino acid residues of the binding site are represented by wheat sticks. H‐bonds are displayed as blue dashed lines whereas halogen bonds are highlighted as red dashed lines. The image was created by using PyMOL software (www.pymol.org).