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Ligand · XSD

XSD · 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

XSD, 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine (C22 H19 N7 O, 397.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
XSD
Formula
C22 H19 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XSD in 2 structures; the first of them:

  • 7LAG · CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA… · XSD B605 · binds GLN91, HIS95, PHE99, LEU216, ASP218, PRO220, THR238, ARG239 and 5 more
  • 7LAG · Crystal structure of myeloperoxidase subform C (mpo) complex with compound-14 aka… · XSD B605 · binds GLN91, HIS95, PHE99, PRO220, THR238, ARG239, GLU242, PHE366 and 1 more

Residues it binds most

PHE 8, THR 8, ARG 8, GLN 8, GLU 8, HIS 8, PRO 8, MET 6, VAL 5, ASP 4 (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

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