Submission Details

MAC-MCD-4707377b
Molecule(s):
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1O

MAC-MCD-4707377b-1

O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1O

piperazine-chloroacetamide Check Availability on Manifold View
Design Rationale:

So, an oxyanion hole has been found to stabilize transition states with hydrogen bonding. Due to this space being blue and being called an oxyanion space in lecture. I think that by adding this hydroxy group there could be some interaction with histidine 41 (and positive charge in some pHs) in that blue pocket.

Inspired By:
Discussion:

Contributor: Mackenzie Meyer, McDaniel College - Fri, 01 May 2020 04:31:35 +0000