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Ligand · AUT

AUT · [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine

AUT, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine (C15 H15 Cl2 N, 280.2 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
AUT
Formula
C15 H15 Cl2 N
Class
ligand
Structures
2
PDB entries
1

Binding sites

AUT in 2 structures; the first of them:

  • 5OTZ · The crystal structure of CK2alpha in complex with compound 1 · AUT A404 · binds PHE121, LEU124, TYR125, LEU128, ILE133, MET137, ILE140, PRO159 and 6 more
  • 5OTZ · The crystal structure of CK2ALPHA in complex with compound 1 · AUT A404 · binds PHE121, LEU124, TYR125, ILE133, ILE140, PRO159, VAL162, ILE164 and 2 more

Residues it binds most

ILE 2, MET 2, LEU 2, ASN 2, PHE 2, PRO 2, TYR 2, VAL 2, HIS 1 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • TFA · trifluoroacetic acid

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