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Binding mode of most promising hCA IX inhibitors predicted by molecular docking and energy minimization. (A) Compound 1; (B) compound 7; (C) compound 10; (D) compound 15; and (E) compound 19. Small molecules are showed as cyan sticks, the 3D structure of hCA IX is showed as green cartoon. hCA IX residues involved in binding to compounds are showed as green lines and are labeled. H-bonds are highlighted as magenta dashed lines.
