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Ligand · 80X

80X · N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide

80X, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide (C14 H16 Cl N3 O3, 309.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
80X
Formula
C14 H16 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

80X in 2 structures; the first of them:

  • 7VVT · SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor · 80X A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, TYR54, GLY143 and 7 more
  • 7VVT · SARS-cov-2 3CL protease (3CLPRO) in complex with a covalent inhibitor · 80X A401 · binds THR25, THR26, LEU27, HIS41, MET49, GLY143, CYS145, MET165 and 3 more

Residues it binds most

CYS 4, HIS 4, MET 4, THR 4, ARG 4, ASP 4, GLN 4, GLY 4, LEU 3, SER 2 (residue and the binding sites it lines).

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