Submission Details

DRE-WAB-ae4a693c
Molecule(s):
CS(=O)(=O)NCC(C(=O)Nc1cccnc1)c1ccccc1

DRE-WAB-ae4a693c-1

CS(=O)(=O)NCC(C(=O)Nc1cccnc1)c1ccccc1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

I chose to represent my 9b7 structure in this structure (more than my eb7) structure because I got better results from that structure (when using computational docking). However, changing the Nitrogen to a Carbon (where the Sulfer chain is attached) and changing the one of the Carbons in the phenyl ring into a Nitrogen seemed like it would improve my inhibitor because this allows the structure of it to match closer to the two fragments that I used to build this inhibitor.

Inspired By:
Discussion:

Contributor: Drew Stanton, Wabash College - Thu, 16 Apr 2020 17:20:27 +0000