Submission Details

ZAC-WAB-86e8bacf

Molecule(s):

CS(=O)(=O)NCCC(C(=O)CCc1c[nH]c2ncccc12)C1CCCCC1

ZAC-WAB-86e8bacf-1

CS(=O)(=O)NCCC(C(=O)CCc1c[nH]c2ncccc12)C1CCCCC1

Check Availability on Manifold View

Design Rationale:

I examined fragments x0072, x0678, and x1093, and tried to incorporate parts of them to attach to different regions of the active site.

Inspired By:

O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

AAR-POS-d2a4d1df-20

Discussion:

Contributor: Zach Hogan, Wabash College - Thu, 16 Apr 2020 21:10:39 +0000