Submission Details

Molecule(s):
Cc1cnc(C(=O)N[C@@H](CC2CCC2)C(=O)C(N)=O)cc1C(=O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C

MAL-TAK-9a9c9ad0-1

Cc1cnc(C(=O)N[C@@H](CC2CCC2)C(=O)C(N)=O)cc1C(=O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C


Design Rationale:

Nicely fitting in the MPro pocket and forming covalent bond with Cysteine 145 and other hydrogen bonds with back bone.

Other Notes:

Having MW<500 with 3 H-Bond donors

Discussion: