PDB ligand accession: 42M
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: RYNICYNSKYXXPK-UHFFFAOYSA-N
SMILES: COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO
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 |
---|---|---|---|---|---|
4ABW | Download | Experimental | e4abwA1 e4abwB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |