Submission Details

Molecule(s):
NC(=O)CN(C(=O)Nc1cnccn1)c1ccccc1

WJF-WAB-092bbb97-1

NC(=O)CN(C(=O)Nc1cnccn1)c1ccccc1

3-aminopyridine-like Check Availability on Manifold View

Design Rationale:

I wanted to use the growing inhibitor design starting with Mpro-x0434 molecule. I then looked at the color of heteroatoms within the binding pocket to identify potential hydrogen bond donors and acceptors. From there, I extended part of the molecule in an attempt to add more hydrogen bond capabilities. My thinking was that more hydrogen bonds would help the inhibitor to better bind within the active site.

Discussion: