PDB ligand accession: NNE
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: DJUYDJABFNZJNL-UHFFFAOYSA-N
SMILES: CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Butyrophenones
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| # | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
|---|---|---|---|---|---|
| 1 | P28161_NNE | P28161 | Glutathione S-transferase Mu | n/a |