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Ligand · 2J6

2J6 · 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol

2J6, 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol (C16 H13 F N4 O, 296.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
2J6
Formula
C16 H13 F N4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

2J6 in 3 structures; the first of them:

  • 4NBL · Tailoring Small Molecules for an Allosteric Site on Procaspase-6 · 2J6 A401 · binds GLN137, TYR198, THR199, LEU200, PRO201, ALA195, SER196, VAL197 and 4 more
  • 8F78 · Compound 1 bound to procaspase-6 · 2J6 A301 · binds ALA195, SER196, VAL197, TYR198, THR199, LEU200, ALA213, GLU214 and 4 more
  • 4NBL · Tailoring small molecules for an allosteric site on procaspase-6 · 2J6 A401 · binds GLN137, TYR198, THR199, LEU200, PRO201, ALA195, SER196, VAL197 and 4 more

Residues it binds most

LEU 4, THR 4, TYR 4, ALA 4, GLU 4, PRO 4, SER 4, VAL 4, GLN 3 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • CL · Chloride ion

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