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Ligand · QXH

QXH · ~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide

QXH, ~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide (C37 H47 Br2 N5 O2, 753.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
QXH
Formula
C37 H47 Br2 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

QXH in 2 structures; the first of them:

  • 7A3I · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, LMC375 · QXH A902 · binds TYR74, PHE667, LYS685, TYR686, ARG688, LEU689, LEU692, TRP754 and 15 more
  • 7A3I · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, LMC375 · QXH A902 · binds PHE667, LYS685, TYR686, ARG688, LEU689, TRP754, SER755, ALA779 and 12 more

Residues it binds most

TYR 6, LEU 6, SER 6, PRO 6, ARG 6, VAL 6, ASN 6, ASP 6, GLN 6, GLY 6 (residue and the binding sites it lines).

Found with

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

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