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Ligand · QXN

QXN · 2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl) methyl]phenyl]butanamide

QXN, 2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl) methyl]phenyl]butanamide (C19 H29 N3 O2, 331.5 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
QXN
Formula
C19 H29 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

QXN in 2 structures; the first of them:

  • 7A3L · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A241 · QXN A901 · binds GLU275, GLU276, HIS525, TYR669, GLN673, VAL674, SER755, TYR756 and 6 more
  • 7A3L · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, A241 · QXN A901 · binds GLU275, GLU276, TYR669, GLN673, SER755, TYR756, VAL781, TYR787 and 2 more

Residues it binds most

TYR 6, VAL 6, GLU 6, HIS 6, GLN 6, SER 6, ASN 3, TRP 1 (residue and the binding sites it lines).

Found with

  • TMO · trimethylamine oxide
  • CL · Chloride ion
  • GOL · Glycerol

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