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(A) Docking pose of compound 24 at the closed form hCD73 active site. (B) Docking pose of compound 27 at the hCD73 active site. In both cases, the ligand is shown as cyan sticks, with the protein colored gray. Protein residues within 4 Å of the ligand are shown as sticks. Hydrogen bonds are shown as yellow dashed lines, ionic interactions as magenta dashed lines, and π–π interactions as cyan dashed lines.
