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Stereo view of the binding modes and key interactions of isomers 1 (atom color) and 2 (purple) in MMP-9 active site (time-averaged structures after the Step 3). Compound 1 forms hydrogen bonds with Leu188 and Glu402, while compound 2 engages in hydrogen bond with Glu402 only. The hydrogen bonds are shown in dashed lines (magenta). Structures of isomers are shown in Table 1.
