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Ligand · QI2

QI2 · (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

QI2, (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (C24 H32 F2 N2 O3, 434.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
QI2
Formula
C24 H32 F2 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

QI2 in 2 structures; the first of them:

  • 3QIZ · Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 · QI2 A432 · binds VAL68, PRO69, PHE163, GLU164, PHE194, THR220, HIS223, GLU224 and 7 more
  • 3QIZ · Crystal structure of BONT/A lc complexed with hydroxamate-based inhibitor pt-2 · QI2 A432 · binds VAL68, PRO69, PHE163, GLU164, PHE194, THR220, HIS223, GLU224 and 7 more

Residues it binds most

GLU 2, HIS 2, PHE 2, ARG 2, ASN 2, LEU 2, PRO 2, THR 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • PEG · Di(hydroxyethyl)ether

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