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Ligand · A2J

A2J · 3-(trifluoromethyl)quinoxalin-2(1H)-one

A2J, 3-(trifluoromethyl)quinoxalin-2(1H)-one (C9 H5 F3 N2 O, 214.2 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 most and the…

Component
A2J
Formula
C9 H5 F3 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

A2J in 2 structures; the first of them:

  • 5WBP · Structure of human Ketohexokinase complexed with hits from fragment screening · A2J A301 · binds ALA224, ALA226, GLU227, ALA244, PHE245, PRO246, PRO247, VAL250 and 7 more
  • 5WBP · Structure of human ketohexokinase complexed with hits from fragment screening · A2J A301 · binds ALA226, GLU227, PHE245, PRO246, PRO247, THR253, PHE260, ALA285 and 2 more

Residues it binds most

ALA 2, PHE 2, PRO 2, GLY 2, CYS 2, GLU 2, THR 2, VAL 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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