Submission Details
Molecule(s):
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1C1CCC(N(C(=O)Nc2cccnc2)c2ccccc2)CC1
Design Rationale:
I added a cyclohexane substituent to the perperazine ring of fragment X0691 to link it to fragment X0434. This allows the two fragments to better fit as the same compound into the entirety of the SARS CoV2 protease at both the Cys145 and His163/Glu166 motifs. This combined form would lead to an overall more potent protease inhibitor.