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Ligand · TQC

TQC · (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

TQC, (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole (C10 H12 N4 O, 204.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
TQC
Formula
C10 H12 N4 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

TQC in 2 structures; the first of them:

  • 7GOJ · PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in… · TQC A201 · binds PHE109, MET112, ILE114, PHE140, PRO141, THR142, GLN146, PRO115 and 2 more
  • 7H35 · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · TQC A201 · binds TYR15, VAL32, TRP33, TRP142, GLU146

Residues it binds most

PHE 1, PRO 1, TRP 1, VAL 2, GLN 1, GLU 1, GLY 1, ILE 1, MET 1, THR 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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