Submission Details

MIC-UNK-06e5f114
Molecule(s):
CS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)cc1

MIC-UNK-06e5f114-1

CS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)cc1

3-aminopyridine-like Check Availability on Manifold View
CS(=O)(=O)c1cccc(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)c1

MIC-UNK-06e5f114-2

CS(=O)(=O)c1cccc(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)c1

3-aminopyridine-like Check Availability on Manifold View
CS(=O)(=O)N1CCCC(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1

MIC-UNK-06e5f114-3

CS(=O)(=O)N1CCCC(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1

3-aminopyridine-like Check Availability on Manifold View
CS(=O)(=O)N1CCC(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1

MIC-UNK-06e5f114-4

CS(=O)(=O)N1CCC(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)C1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

I wonder if it is possible to occupy P4 pocket without using substituent meta- to chlorine, which seems to cause considerable bending of molecule. Sulfone/sulfonamide on the far end could interact with Gln192 via hydrogen bond, much like LON-WEI-9739a092-9 does

Inspired By:
Discussion:

Contributor: Michal K - Tue, 25 May 2021 19:42:12 +0000