Fig. 3. Lead compound 3 and compound 8i adopt a similar binding mode, overlaid onto the active site of MmpL3 together with ICA38. (A) Superposition of lead compound 3 (dark cyan), and ICA38 (light brown) in the MmpL3 binding pocket. (B) Superposition of 8i (dark cyan) onto ICA38 (light brown) in the MmpL3 binding pocket.
