PDB ligand accession: K27
DrugBank: n/a
PubChem: 196168;5492534;101237538;135539053;135765034;
ChEMBL:
InChI Key: KCCVYOKFPFWMQG-UHFFFAOYSA-P
SMILES: c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C(=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridinecarboxylic acids and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2WHR | Download | Experimental | e2whrA1 e2whrB1 | alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |