Submission Details
Molecule(s):
COc1ncc(Cl)cc1C(=O)N[C@H](C=O)C1CC1
Design Rationale:
favorable binding energy estimate -12.8kcal(+/-0.4) used brood and szybki, same crystal structure as for Paecilopeptin which can be built in 7d1m.
Other Notes:
want the sulfate prodrug so aldehyde adds to cys 145