Submission Details
Molecule(s):
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1c1nccs1
Design Rationale:
In the active site, there is an open hydrophilic oxyanion pocket. Within that pocket is a histidine that can interact via pi orbital stacking. I added a thiazole to the piperazine ring as the nitrogen atom can hydrogen bond and the 5 member heterocycle can stack with the histidine