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Ligand · QXK

QXK · 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

QXK, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide (C29 H35 N3 O2, 457.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
QXK
Formula
C29 H35 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

QXK in 2 structures; the first of them:

  • 7A3J · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272 · QXK C901 · binds PHE667, LYS685, TYR686, ARG688, LEU689, LEU692, HIS752, TRP754 and 11 more
  • 7A3J · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, A272 · QXK C901 · binds PHE667, LYS685, ARG688, LEU689, LEU692, HIS752, TRP754, SER755 and 10 more

Residues it binds most

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

Found with

  • TMO · trimethylamine oxide
  • CL · Chloride ion

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