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

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Diphenylethers

List of proteins that are targets for BNE

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P49354_BNE	P49354	n/a
2	P49356_BNE	P49356	n/a