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Ligand · 28B

28B · 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile

28B, 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile (C12 H8 N2 O2, 212.2 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 residues it binds…

Component
28B
Formula
C12 H8 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

28B in 2 structures; the first of them:

  • 4MK2 · 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile bound to influenza 2009 pH1N1… · 28B A306 · binds TYR24, GLU26, LYS34, ALA37, ILE38, HIS41, GLU80, ASP108 and 4 more
  • 4MK2 · 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-YL)BENZONITRILE bound to influenza 2009 PH1N1… · 28B A306 · binds TYR24, GLU26, LYS34, ALA37, ILE38, HIS41, GLU80, ASP108 and 4 more

Residues it binds most

GLU 2, ILE 2, LYS 2, TYR 2, ALA 2, ASP 2, HIS 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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