Ligand name: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
PDB ligand accession: R8E
DrugBank: DB08460
PubChem: 16045418
ChEMBL: CHEMBL489586
InChI Key: KXDIHAQCVNNLIB-UHFFFAOYSA-N
SMILES: c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Diphenylethers

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DRR	Download	Experimental	e3drrA9 e3drrA12	Ribonuclease H-like Alpha-beta plaits	LigPlot
3DRP	Download	Experimental	e3drpA9 e3drpA12	Ribonuclease H-like Alpha-beta plaits	LigPlot