PDB ligand accession: 3VI
DrugBank: n/a
PubChem: 164922;5490824;135464156;135555426;136928592;
ChEMBL:
InChI Key: CMMIGIRGSXYBDN-UHFFFAOYSA-P
SMILES: c1c[n+](ccc1C=NO)C[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 |
---|---|---|---|---|---|
8DT4 | Download | Experimental | e8dt4A1 e8dt4B1 | alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
8DT7 | Download | Experimental | e8dt7A1 e8dt7B1 | alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
7RB7 | Download | Experimental | e7rb7A1 e7rb7A1 e7rb7B1 | alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |