Submission Details

KAT-FAI-78913094
Molecule(s):
Cc1cccc(C2CN(C(=O)CS)CCN2c2ccccc2[N+](=O)O)c1

KAT-FAI-78913094-1

Cc1cccc(C2CN(C(=O)CS)CCN2c2ccccc2[N+](=O)O)c1

Design Rationale:

Fragments Mpro-X0689 and Mpro-x708 are combined to form one ligand that makes maximal contacts and retains disulfide bond. Additional van der Waals contacts are gained from this modification.

Inspired By:
Discussion:

Contributor: Kathleen Frey, Fairleigh Dickinson University, Long Island University - Fri, 27 Mar 2020 02:07:09 +0000