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Ligand · 9W8

9W8 · 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one

9W8, 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one (C16 H20 N4 O, 284.4 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…

Component
9W8
Formula
C16 H20 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

9W8 in 2 structures; the first of them:

  • 5OIR · InhA (T2A mutant) complexed with 2,6-Dimethyl-3-(1-(pyrimidin-2-yl)piperidin-4-yl)pyridin… · 9W8 A302 · binds GLY96, PHE97, MET98, MET103, PHE149, TYR158, MET161, LYS165 and 1 more
  • 5OIR · Inha (T2A mutant) complexed with 2,6-dimethyl-3-(1-(pyrimidin-2-yl)… · 9W8 A302 · binds GLY96, PHE97, MET98, MET103, PHE149, TYR158, MET161, LYS165 and 1 more

Residues it binds most

MET 2, PHE 2, GLY 2, LYS 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ETX · 2-ethoxyethanol
  • NAD · Nicotinamide-adenine-dinucleotide
  • SO4 · Sulfate ion

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