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Ligand · 4E2

4E2 · 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

4E2, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid (C16 H8 Cl I N2 O2, 422.6 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…

Component
4E2
Formula
C16 H8 Cl I N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4E2 in 2 structures; the first of them:

  • 4YLK · Crystal structure of DYRK1A in complex with 10-Chloro-substituted… · 4E2 A519 · binds ILE165, GLY166, LYS167, PHE170, VAL173, ALA186, LYS188, GLU203 and 8 more
  • 4YLK · Crystal structure of DYRK1A in complex with 10-chloro-substituted 11H… · 4E2 A519 · binds ILE165, GLY166, LYS167, PHE170, VAL173, ALA186, LYS188, GLU203 and 8 more

Residues it binds most

VAL 2, GLU 2, LEU 2, LYS 2, PHE 2, ALA 2, ASP 2, GLY 2, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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