Submission Details

MAK-UNK-3d7e3904
Molecule(s):
O=C(NC1CCCC(C2CCCCC2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-1

O=C(NC1CCCC(C2CCCCC2)C1)C1CCN(C(=O)CCl)CC1

O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-2

O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1

O=C(Nc1ccccc1C1COC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-3

O=C(Nc1ccccc1C1COC1)C1CCN(C(=O)CCl)CC1

Design Rationale:

SeeSAR 9.2 Inspirator, ReCore with docking, and growing in binding site, x1358, https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html

Inspired By:
Discussion:

Contributor: Maksym Voznyy - Tue, 02 Jun 2020 01:32:29 +0000