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Ligand · 54E

54E · 1-(2-chlorobiphenyl-4-yl)methanamine

54E, 1-(2-chlorobiphenyl-4-yl)methanamine (C13 H12 Cl N, 217.7 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 most and the ligands…

Component
54E
Formula
C13 H12 Cl N
Class
ligand
Structures
2
PDB entries
1

Binding sites

54E in 2 structures; the first of them:

  • 5CSH · Crystal Structure of CK2alpha with Compound 4 bound · 54E A401 · binds ASN118, PHE121, LEU124, LEU128, ASP132, ILE133, TYR136, MET137 and 7 more
  • 5CSH · Crystal structure of CK2ALPHA with compound 4 bound · 54E A401 · binds ASN118, PHE121, LEU124, LEU128, ASP132, ILE133, TYR136, MET137 and 7 more

Residues it binds most

MET 4, ILE 6, ASP 6, LEU 6, VAL 6, ASN 6, PRO 6, TYR 6, GLN 4, PHE 4 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • ACT · Acetate ion

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