Skip to main content
. Author manuscript; available in PMC: 2014 Dec 10.
Published in final edited form as: J Chem Theory Comput. 2013 Oct 16;9(12):5693–5705. doi: 10.1021/ct400603p

Figure 4.

Figure 4

Macrocyclic inhibitors do not fully occupy the dynamic substrate envelope. The portion of the dynamic substrate envelope that is not used by the inhibitor molecules, Vremaning, is shown on the structures of (A) ITMN-191, (B) MK-5172, and (C) MK-7009. Stereo images were prepared with PyMOL.46