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Ligand · W4P

W4P · N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide

W4P, N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide (C23 H22 N6 O3 S, 462.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
W4P
Formula
C23 H22 N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W4P in 2 structures; the first of them:

  • 7K9A · Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor · W4P A401 · binds LEU18, HIS19, MET62, SER63, THR75, GLU77, HIS78, ILE102 and 16 more
  • 7K9A · Crystal structure of P. aeruginosa lpxc with N-hydroxyformamide inhibitor · W4P A401 · binds LEU18, HIS19, MET62, SER63, THR75, GLU77, HIS78, ILE102 and 16 more

Residues it binds most

HIS 4, LEU 4, ALA 4, GLY 4, ILE 4, SER 4, THR 4, MET 4, VAL 4, ARG 4 (residue and the binding sites it lines).

Found with

  • W8P · N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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