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. 2021 Mar 30;40(5):2000187. doi: 10.1002/minf.202000187

Figure 4.

Figure 4

(A) Presentation of low micromolar ligand X2646 (labeled in red) and ritonavir (labeled in yellow, representative of cluster ID2), (B) Presentation of low micromolar ligand X2581 (labeled in yellow) and naringin (labeled in green, representative of cluster ID1), (C) Presentation of S2‐interacting fragment (labeled in magenta) interacting with Met49 from S2 subsite; phenyl group of presented fragment (derived from montelukast) should be substituted with diverse arylalkyl moieties that extend into S1 and S4 subsites.