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Ligand · A1Y

A1Y · 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile

A1Y, 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile (C12 H15 N3 O, 217.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
A1Y
Formula
C12 H15 N3 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1Y in 1 structure; the first of them:

  • 5WBO · Structure of human ketohexokinase complexed with hits from fragment screening · A1Y A301 · binds ALA224, ALA226, PRO246, THR253, PHE260, CYS282, ALA285, GLY286

Residues it binds most

ALA 2, CYS 2, GLY 2, PHE 2, PRO 2, THR 2, GLU 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CIT · Citric acid
  • GOL · Glycerol

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