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(A, C, E, and G) Predicted 3D binding mode and (B, D, F, and H) corresponding ligand interaction diagram of most selective ligands (A, B) 9c yellow, (C, D) 12c magenta, (E, F) 4b orange, and (G, H) 10a cyan, within VchαCA (light grey). The compounds are represented as sticks, and the protein surface is visualised.
