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Ligand · QX8

QX8 · 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one

QX8, 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one (C21 H24 Br N3 O, 414.4 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…

Component
QX8
Formula
C21 H24 Br N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

QX8 in 2 structures; the first of them:

  • 7A3K · Crystal structure of DPP8 in complex with a b-lactam based inhibitor, A296.1 · QX8 C907 · binds PHE667, LYS685, TYR686, ARG688, LEU689, HIS752, TRP754, SER755 and 9 more
  • 7A3K · Crystal structure of DPP8 in complex with a B-lactam based inhibitor, A296.1 · QX8 C907 · binds PHE667, LYS685, TYR686, ARG688, LEU689, TRP754, HIS865, SER866 and 4 more

Residues it binds most

LEU 6, TYR 6, SER 6, HIS 6, ARG 6, ILE 6, LYS 6, PHE 6, TRP 6, ASP 4 (residue and the binding sites it lines).

Found with

  • TMO · trimethylamine oxide
  • NA · Sodium ion
  • CL · Chloride ion

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