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Ligand · VFN

VFN · ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]ethanamide

VFN, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]ethanamide (C19 H16 Cl N5 O2 S, 413.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
VFN
Formula
C19 H16 Cl N5 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

VFN in 4 structures; the first of them:

  • 7OK1 · Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 · VFN A301 · binds LEU112, MET114, ILE130, VAL132, ASN133, ILE148, SER150, GLY151 and 10 more
  • 7OK2 · Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 · VFN 1301 · binds LEU112, MET114, ILE130, VAL132, ASN133, ILE148, SER150, GLY151 and 11 more
  • 7OK1 · Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3 · VFN A301 · binds LEU112, ILE130, VAL132, ASN133, ILE148, SER150, GLY151, TYR152 and 6 more
  • 7OK2 · Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3 · VFN 1301 · binds VAL132, ASN133, SER150, GLY151, MET169, ASP70, LEU71, HIS118 and 5 more

Residues it binds most

HIS 66, ALA 66, LEU 66, MET 66, ILE 59, ASN 66, ASP 66, GLN 66, GLY 66, SER 66 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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