Ligand name: 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
PDB ligand accession: R8D
DrugBank: DB08459
PubChem: 16045340
ChEMBL: CHEMBL491019
InChI Key: SVMHTBVIPYVDIL-UHFFFAOYSA-N
SMILES: c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)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
3DRS	Download	Experimental	e3drsA9 e3drsA12	Ribonuclease H-like Alpha-beta plaits	LigPlot