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. 2018 Jul 3;23(7):1621. doi: 10.3390/molecules23071621

Figure 10.

Figure 10

(A) Docking of compound 9 to the human 5-LOX structure 3O8Y, target center: x = 8.59 Å y = 22.65 Å, z = −1.02 Å, target box 35 × 35 × 35 Å. The target box enables the compound to dock preferentially at the upper left corner, behind the active site; (B) Structure 3O8Y with the target box in yellow (center x: −12.5 Å, y: 75.5 Å, z: 0.5 Å, box 35 × 25 × 27 Å); (C) Docking of compound 9 to 3O8Y (center x: −12.5 Å, y: 75.5 Å, z: 0.5 Å, box 35 × 25 × 27 Å); (D) Docking of compound 11 3O8Y (center x: −12.5 Å, y: 75.5 Å, z: 0.5 Å, box 35 × 25 × 27 Å).