|
Figure 4.
Figure 4. Stereo representation of compound-1 bound to the
ATP-binding site of MK2. Inhibitor and interacting residues
shown in stick representation and atom colors (inhibitor carbon
atoms in green). In (a) crystal form-1, in (b) molecule-A of
crystal form-2. Black dotted lines represent hydrogen bonds.
Thick orange dotted lines indicate π–π stacking between
compound-1 and Asp142, and two weak hydrogen bonds
(C-H···O to Glu139 in (a) and (b) and
N-H···π to Asp207 in (b)).
|
