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Ligand · A5K

A5K · 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

A5K, 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane (C11 H13 Cl F3 N3, 279.7 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…

Component
A5K
Formula
C11 H13 Cl F3 N3
Class
ligand
Structures
1
PDB entries
1

Binding sites

A5K in 1 structure; the first of them:

  • 5ORP · Crystal structure of aurora-a kinase in complex with an allosterically binding fragment · A5K A404 · binds TRP128, PHE133, GLU152, PHE157, LEU159, TYR197, ILE209

Residues it binds most

PHE 1, GLU 1, ILE 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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