Submission Details

STU-CHA-91df9a40
Molecule(s):
CC(NC(=O)CCl)c1cc(Cl)ccc1Oc1cccc(S(N)(=O)=O)c1

STU-CHA-91df9a40-1

CC(NC(=O)CCl)c1cc(Cl)ccc1Oc1cccc(S(N)(=O)=O)c1

Design Rationale:

Combination of covalent fragment x1382 with non-covalent x0195 (and similar). Docking in to crystal structure scores highly with sulfonamide NH2 interacting with Glu166 (N-O 2.8A)

Inspired By:
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Discussion:

Contributor: Stuart Ward, Charles River Laboratories - Thu, 02 Apr 2020 16:12:42 +0000