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Ligand · A9E

A9E · 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone

A9E, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone (C15 H21 N O2, 247.3 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 and the…

Component
A9E
Formula
C15 H21 N O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

A9E in 1 structure; the first of them:

  • 5OSF · Crystal structure of aurora-a kinase in complex with an allosterically binding fragment · A9E A404 · binds TRP128, PHE133, PHE157, LEU159, TYR197

Residues it binds most

PHE 1, LEU 1, TRP 1, TYR 1 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion

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