Ligand name: 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-N-(1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide
PDB ligand accession: XFA
DrugBank: n/a
PubChem: 51352533
ChEMBL: CHEMBL3545569
InChI Key: AOQCCSFIEWPXMC-UHFFFAOYSA-N
SMILES: CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)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 P23526

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YVF	Download	Experimental	e4yvfA1 e4yvfA2 e4yvfB1 e4yvfB2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot