PDB ligand accession: AAH
DrugBank: DB07329
PubChem:
ChEMBL: n/a
InChI Key: RWVBLRUMXIXUAR-UHFFFAOYSA-N
SMILES: c1cc(ccc1CN(CCCCC(=O)O)CP(=O)(O)O)[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 |
---|---|---|---|---|---|
1KEL | Download | Experimental | e1kelL1 e1kelH1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |