Submission Details

MAT-CRI-b80b8c24
Molecule(s):
CC1=CN=CC1CN(C)C(=O)N1CCN(c2ccccc2N(O)O)CC1

MAT-CRI-b80b8c24-1

CC1=CN=CC1CN(C)C(=O)N1CCN(c2ccccc2N(O)O)CC1

CC1CNCC1CN(CC(=O)N1CCN(C)CC1)C(O)N1CCN(C2CCCCC2N([O])O)CC1

MAT-CRI-b80b8c24-2

CC1CNCC1CN(CC(=O)N1CCN(C)CC1)C(O)N1CCN(C2CCCCC2N([O])O)CC1

Design Rationale:

Active site ligands targetted. Compounds were grouped according to shared "popular" features by eye. Then attempted joining of compounds from different groups, or compounds with anchors in different/multiple pockets.

Inspired By:
Discussion:

Contributor: Matthew Cottee, Crick Institute - Thu, 26 Mar 2020 20:26:44 +0000