Ligand name: 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE
PDB ligand accession: BNE
DrugBank: n/a
PubChem: 5287820
ChEMBL: CHEMBL294888
InChI Key: MHNMEERHZSPWFL-NSOVKSMOSA-N
SMILES: CCC1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)C(C)(c4cncn4C)N
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 P49354

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1MZC	Download	Experimental	e1mzcB1 e1mzcA1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot