Submission Details

Molecule(s):
NC(O)C1CCCC1C(C1C=CC=C1)N1C=CC(O)C=C1

WES-WAB-adc860f2-1

NC(O)C1CCCC1C(C1C=CC=C1)N1C=CC(O)C=C1


Design Rationale:

This molecule is a combination of non-covalent hits x0387 and x0874, as they have a nearly overlapping ring structure. Additionally, the molecule is small, and very rigid with all the close rings. If the molecule could hold the necessary shape, it would be a snug fit into the active site of the protease.

Inspired By:
Discussion: