PDB ligand accession: INI
DrugBank: DB04162
PubChem: 446835;5288638;
ChEMBL: n/a
InChI Key: KSKGHNZSCSCHEQ-RPDRRWSUSA-N
SMILES: C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4GQN | Download | Experimental | e4gqnA3 e4gqnA4 e4gqnB3 e4gqnB4 e4gqnA3 e4gqnA4 e4gqnC3 e4gqnC4 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |