Submission Details

ALE-ALC-890838c9
Molecule(s):
CC1(C)[C@H]2CN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(F)(F)F)[C@H](C(=O)N[C@H](C#N)C[C@H]3C(=O)NCC3N)[C@H]21

ALE-ALC-890838c9-1

CC1(C)[C@H]2CN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(F)(F)F)[C@H](C(=O)N[C@H](C#N)C[C@H]3C(=O)NCC3N)[C@H]21

Design Rationale:

add nitrogen coming from the 5 members ring to interact with a oxygen nearby well in protease, and added fluorines in place of methyl groups to increase lipophilicity

Discussion:

Contributor: alex, alchemical biological research - Mon, 02 Jan 2023 08:23:54 +0000