Submission Details

MAT-GRU-7002a1a0
Molecule(s):
Cc1ccc(-c2cc(-c3ccccc3Cl)nc(NC(=O)NCc3ccccc3)n2)cc1

MAT-GRU-7002a1a0-1

Cc1ccc(-c2cc(-c3ccccc3Cl)nc(NC(=O)NCc3ccccc3)n2)cc1

Design Rationale:

Docking test with the MPro (6YB7 in PDB) using Autodock v.4.

Other Notes:

Hydrogen bonding interaction with His164 and Glu166 residues.

Download PDB File
Discussion:

Contributor: Mateo Gil Vizcaíno, Grupo de Estudios en Síntesis y Aplicaciones de Compuestos Heterocíclicos (GESACH) – UNAL – Colombia - Thu, 18 Jun 2020 04:57:32 +0000