Submission Details

Molecule(s):
CS(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cncc2ccccc12

MIC-UNK-25b9c114-1

CS(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cncc2ccccc12

NS(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cncc2ccccc12

MIC-UNK-25b9c114-2

NS(=O)(=O)NCC1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1cncc2ccccc12


Design Rationale:

Sulfonamide in ADA-UNI-f8e79267-2 in one conformation pushes out up to 3 water molecules, one of which is near catalytic cysteine. This is attempt to graft this residue to ERI-UCB-d6de1f3c-2. I don't expect this sulfonamide to fill P1' pocket

Inspired By:
Discussion: