PDB ligand accession: 45Z
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: QHKCESVLSJWHFS-UHFFFAOYSA-N
SMILES: c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylethers
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4Y34 | Download | Experimental | e4y34A1 | Alpha-beta plaits | LigPlot |