Submission Details
Molecule(s):
COc1ncc(Cl)cc1C(=O)[C@@H]1O[C@H](C)C[C@H]1C=O
Design Rationale:
-10.5+/-1.3kcal, aldehyde close to cys 145
Other Notes:
tautomer -11.3+/-1.3kcal, aldehyde close to cys 145. Again, we're considering the sulfate prodrug as in 7d1m.pdb/GC376, assuming it can be made as a stable api. The ketone alert is interesting, would this be significant for treatment of Covid?