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Ligand · 45E

45E · 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

45E, 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (C22 H26 N2 O5, 398.4 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…

Component
45E
Formula
C22 H26 N2 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

45E in 1 structure; the first of them:

  • 4X3T · Crystal structure of chromobox homolog 7 (CBX7) chromodomain with MS37452 · 45E A101 · binds MET6, PHE11, VAL13, TRP32, TRP35, TYR39, THR41, GLU43 and 5 more

Residues it binds most

GLU 6, TRP 6, HIS 6, VAL 6, TYR 6, PHE 6, THR 6, MET 4, LEU 4, ILE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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