Submission Details

JOE-SYG-2c9a1216
Molecule(s):
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)[C@H](c2ccccc2)C1

JOE-SYG-2c9a1216-1

O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)[C@H](c2ccccc2)C1

piperazine-chloroacetamide Check Availability on Manifold View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)c2ccncc21

JOE-SYG-2c9a1216-2

O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)c2ccncc21

O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)C2(CCOC2)C1

JOE-SYG-2c9a1216-3

O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)C2(CCOC2)C1

piperazine-chloroacetamide Check Availability on Manifold View
Design Rationale:

Building on covalent binding fragment Mpro-x0755. Attempt to fill pocket that extends out towards Glu166 by eye.

Inspired By:
Discussion:

Contributor: Joe Hill-Cousins, Sygnature Discovery - Fri, 15 May 2020 15:30:40 +0000