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Ligand · W8P

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

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 (C23 H22 N6 O3 S, 462.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
W8P
Formula
C23 H22 N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W8P in 2 structures; the first of them:

  • 7K9A · Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor · W8P C401 · binds GLU134, SER136, GLU138, ARG143, VAL145, SER155, PHE156, GLU157 and 6 more
  • 7K9A · Crystal structure of P. aeruginosa lpxc with N-hydroxyformamide inhibitor · W8P C401 · binds GLU134, SER136, GLU138, ARG143, VAL145, SER155, PHE156, GLU157 and 6 more

Residues it binds most

GLU 2, SER 2, ARG 2, PHE 2, ALA 2, GLN 2, GLY 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 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
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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