Ligand name: 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
PDB ligand accession: 2S1
DrugBank: n/a
PubChem: 9876120
ChEMBL: CHEMBL81927
InChI Key: DQHKQRXAVNDAFY-UWXQCODUSA-N
SMILES: COc1cc(c(cc1OC)Br)C(=O)NC(Cc2cccc(c2)Oc3ccccc3)C(CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O
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 P07339

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OC6	Download	Experimental	e4oc6B1 e4oc6A1	cradle loop barrel cradle loop barrel	LigPlot