Submission Details
Molecule(s):
N#CN(C(=O)Cc1cccc(Cl)c1)c1cncc2ccccc12
Design Rationale:
Target catalytic cysteine with nitrile warhead. This substituent on the amide nitrogen is less likely than sp3 C to 'flip' the cis/trans preference of the amide although some movement of the protein will be necessary in order to form the covalent bond.
Other Notes:
I would anticipate that ADA-UCB-6c2cb422-1 could be substituted directly with a nitrile (e.g. with cyanogen bromide)