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Ligand · HPJ

HPJ · 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one

HPJ, 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one (C22 H21 N3 O3, 375.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
HPJ
Formula
C22 H21 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

HPJ in 2 structures; the first of them:

  • 3VW9 · Human Glyoxalase I with an N-hydroxypyridone inhibitor · HPJ A203 · binds HIS126, VAL149, LYS150, MET157, LEU160, PHE162, TRP170, GLU172 and 13 more
  • 3VW9 · Human glyoxalase I with an N-hydroxypyridone inhibitor · HPJ A203 · binds HIS126, VAL149, LYS150, MET157, LEU160, PHE162, TRP170, GLU172 and 13 more

Residues it binds most

LEU 4, PHE 4, MET 4, GLU 4, CYS 4, GLN 4, HIS 4, ILE 4, LYS 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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