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Ligand · NIH

NIH · 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-N-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide

NIH, 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-N-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide (C14 H10 F6 N4 O3, 396.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
NIH
Formula
C14 H10 F6 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

NIH in 2 structures; the first of them:

  • 4C1M · Myeloperoxidase in complex with the revesible inhibitor HX1 · NIH A606 · binds GLN91, ASP94, HIS95, PHE99, PRO220, THR238, ARG239, GLU242 and 4 more
  • 4C1M · Myeloperoxidase in complex with the revesible inhibitor HX1 · NIH A606 · binds GLN91, ASP94, HIS95, PHE99, PRO220, THR238, ARG239, GLU242 and 4 more

Residues it binds most

PHE 4, ARG 4, GLN 4, GLU 4, HIS 4, MET 4, PRO 4, THR 4, VAL 4, ASP 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CA · Calcium ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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