PDB ligand accession: NS4
DrugBank: DB14060
PubChem:
ChEMBL:
InChI Key: KTDZCOWXCWUPEO-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Nitrobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3QMO | Download | Experimental | e3qmoA1 e3qmoB2 | Heme-dependent peroxidases Heme-dependent peroxidases | LigPlot |