Submission Details
Molecule(s):
O=C[C@@H](NC(=O)c1cc(Cl)ccc1O)[C@@H]1CC1(Cl)Cl
Design Rationale:
binding energy estimates -13+/-1.5kcal in 3CLpro (pdbid 7d1m) Aldehyde prodrug may covalently bind to Cys 145
Other Notes:
might not be so easy to make
O=C[C@@H](NC(=O)c1cc(Cl)ccc1O)[C@@H]1CC1(Cl)Cl
binding energy estimates -13+/-1.5kcal in 3CLpro (pdbid 7d1m) Aldehyde prodrug may covalently bind to Cys 145
might not be so easy to make