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Ligand · GXU

GXU · 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl) benzo[f]benzimidazol-3-ium-4,9-dione

GXU, 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl) benzo[f]benzimidazol-3-ium-4,9-dione (C20 H19 N4 O3 +1, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
GXU
Formula
C20 H19 N4 O3 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

GXU in 2 structures; the first of them:

  • 7D7L · The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155 · GXU A403 · binds ASP164, MET208, PRO247, PRO248, TYR264, GLY266, ASN267, TYR268 and 2 more
  • 7D7L · The crystal structure of SARS-cov-2 papain-like protease in complex with YM155 · GXU A403 · binds ASP164, MET208, PRO247, PRO248, TYR264, GLY266, ASN267, TYR268 and 2 more

Residues it binds most

THR 10, TYR 4, PRO 4, ASN 6, CYS 2, GLY 6, ASP 4, GLU 4, HIS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • CFF · Caffeine
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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