Submission Details

STU-CHA-07310c75
Molecule(s):
Cc1cccc(C2(N3CCN(C(=O)CCl)CC3)CC(C(N)=O)C2)c1

STU-CHA-07310c75-1

Cc1cccc(C2(N3CCN(C(=O)CCl)CC3)CC(C(N)=O)C2)c1

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

Modification of covalent fragment x0692 looking to occupy region filled by fragment x0395. Docking into crystal structure scores highly with spiro cyclobutyl amide interacting with Arg188 (NH-O 2.2A)

Inspired By:
Download PDB File
Discussion:

Contributor: Stuart Ward, Charles River Laboratories - Thu, 02 Apr 2020 16:33:28 +0000