Submission Details
Molecule(s):
Cc1ccncc1-n1c(=O)ccc2cc(C3CC3)c(S(N)(=O)=O)cc21
Design Rationale:
Starting from fragment 0107, the amide was expanded to a 2-pyridone to block the site directly above Cys145. The compund was designed in SeeSAR.
Other Notes:
Does not contain an electrophilic warhead as requested for the second round, but gave good geometries in docking with SeeSAR.