Submission Details

STU-CHA-0be58c98
Molecule(s):
Cc1cccc(CN2CCN(C(=O)CCl)C[C@H]2CC(N)=O)c1

STU-CHA-0be58c98-1

Cc1cccc(CN2CCN(C(=O)CCl)C[C@H]2CC(N)=O)c1

piperazine-chloroacetamide Ordered Check Availability on Manifold View
Design Rationale:

Modification of covalent fragment x0692. Pendent amide makes additonal interactions with Glu166 backbone (NH-C=O 2.3A and C=O-NH 1.9A)

Inspired By:
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Discussion:

Contributor: Stuart Ward, Charles River Laboratories - Thu, 02 Apr 2020 16:39:43 +0000