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Ligand · 5EL

5EL · 4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-N-(pyridin-4-ylmethyl)benzamide

5EL, 4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-N-(pyridin-4-ylmethyl)benzamide (C28 H27 N3 O3, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
5EL
Formula
C28 H27 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5EL in 2 structures; the first of them:

  • 2YIG · MMP13 in complex with a novel selective non zinc binding inhibitor · 5EL A301 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 13 more
  • 2YIG · MMP13 in complex with a novel selective non zinc binding inhibitor · 5EL A301 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 13 more

Residues it binds most

LEU 4, PRO 4, ALA 4, GLY 4, PHE 4, THR 4, HIS 4, GLU 4, ILE 4, TYR 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ZN · Zinc ion

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