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Ligand · WF8

WF8 · 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone

WF8, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone (C15 H16 N6 O, 296.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
WF8
Formula
C15 H16 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

WF8 in 2 structures; the first of them:

  • 4BTX · Crystal structure of human vascular adhesion protein-1 in complex with pyridazi inhibitors · WF8 A2000 · binds PHE173, TYR176, LEU177, ASP180, THR210, MET211, THR212, PHE227 and 5 more
  • 4BTX · Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone… · WF8 A2000 · binds PHE173, TYR176, LEU177, ASP180, THR210, MET211, THR212, PHE227 and 5 more

Residues it binds most

LEU 4, PHE 4, TYR 4, THR 4, ASP 4, MET 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CU · Copper (II) ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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