Ligand name: 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile
PDB ligand accession: O7P
DrugBank: n/a
PubChem: 146036008
ChEMBL: CHEMBL4633160
InChI Key: WFOOODRZHBDNTB-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C
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 P0AEG4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6PG1	Download	Experimental	e6pg1A1 e6pg1B1	Thioredoxin-like Thioredoxin-like	LigPlot
6PC9	Download	Experimental	e6pc9A1 e6pc9B1 e6pc9B2	Thioredoxin-like Insertion subdomain in DsbA-like Thioredoxin-like	LigPlot