PDB ligand accession: OBI
DrugBank: DB13750
PubChem: 8251;5485192;135412781;135440423;135705158;
ChEMBL:
InChI Key: HIGRLDNHDGYWQJ-UHFFFAOYSA-P
SMILES: c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Hydropyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2GYW | Download | Experimental | e2gywA1 e2gywB1 | alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |