Submission Details

SEA-TRI-ec70a9dd
Molecule(s):
N#Cc1cccc(CN2CCN(S(=O)(=O)/C=C/CN3CCC3=O)CC2)c1

SEA-TRI-ec70a9dd-1

N#Cc1cccc(CN2CCN(S(=O)(=O)/C=C/CN3CCC3=O)CC2)c1

Design Rationale:

Extended towards water/DMSO pocket Presented beta lactam H-bond acceptor Vinyl sulfone present as cysteine reactive michael acceptor Switched Cl -> CN

Other Notes:

SMcK-017

Inspired By:
Discussion:

Contributor: Sean McKenna, Trinity College Dublin - Thu, 02 Apr 2020 10:01:23 +0000