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Ligand · S9Z

S9Z · ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

S9Z, ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide (C25 H30 Br N3 O3, 500.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
S9Z
Formula
C25 H30 Br N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

S9Z in 2 structures; the first of them:

  • 7AYQ · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114 · S9Z A904 · binds TYR74, PHE667, LYS685, TYR686, ARG688, LEU689, LEU692, TRP754 and 9 more
  • 7AYQ · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, B114 · S9Z A904 · binds TYR74, PHE667, LYS685, TYR686, ARG688, LEU689, TRP754, SER755 and 7 more

Residues it binds most

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

Found with

  • TMO · trimethylamine oxide
  • PO4 · Phosphate ion
  • GOL · Glycerol

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