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Ligand · A5I

A5I · N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone

A5I, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone (C10 H13 N3 O3 S, 255.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
A5I
Formula
C10 H13 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A5I in 2 structures; the first of them:

  • 7QCH · Structure of SARS-CoV-2 Papain-like Protease bound to… · A5I A401 · binds LEU58, PRO59, ARG65, ALA68, PHE69, TYR72, THR74, THR75 and 5 more
  • 7QCH · Structure of SARS-cov-2 papain-like protease bound to N-(3,5… · A5I A401 · binds LEU58, PRO59, ARG65, ALA68, PHE69, TYR72, THR74, THR75 and 5 more

Residues it binds most

LEU 2, PHE 2, PRO 2, THR 2, ALA 2, ARG 2, ASP 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • GOL · Glycerol

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