Submission Details
Molecule(s):
CC(=O)Nc1cncc(N)c1
CC(=O)N(C(=O)CCl)c1cncc(N)c1
Design Rationale:
Merge of non-covalent fragments. Added in a covalent chloroacetamide that would be in proximity to the active site cysteine. Overlaid in Pymol. Looked by eye.
Other Notes:
I'm a med chemist faculty member at Purdue. We have ordered starting materials to make these but I thought I would submit to you anyway.