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Ligand · MQ2

MQ2 · ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide

MQ2, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide (C25 H32 Br N3 O2, 486.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
MQ2
Formula
C25 H32 Br N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

MQ2 in 2 structures; the first of them:

  • 7OZ7 · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84 · MQ2 A901 · binds PHE667, TYR669, LYS685, TYR686, ARG688, LEU689, HIS752, TRP754 and 9 more
  • 7OZ7 · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, L84 · MQ2 A901 · binds PHE667, LYS685, TYR686, ARG688, LEU689, TRP754, SER755, ALA779 and 5 more

Residues it binds most

LEU 4, TYR 4, ALA 4, ARG 4, LYS 4, PHE 4, SER 4, TRP 4, VAL 4, ASP 3 (residue and the binding sites it lines).

Found with

  • TMO · trimethylamine oxide

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