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. Author manuscript; available in PMC: 2020 Feb 1.
Published in final edited form as: Eur J Med Chem. 2018 Nov 23;163:320–332. doi: 10.1016/j.ejmech.2018.11.056

Figure 2.

Figure 2.

Binding mode of PSZ and 1 in complex with Smo. (A) The binding orientations of PSZ (yellow) and 1 (blue) inside the binding pocket on Smo. The opening of the binding site is sandwiched between the ELD and ECL2. (B) The furan region of PSZ and 1 orient out of the binding pocket towards the ELD. (C) Compared to PSZ, 1 penetrates more deeply inside the binding pocket.