PDB ligand accession: 4GO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HTKJVDABQHUEPR-UHFFFAOYSA-N
SMILES: c1cc(ncc1C(=O)N)NC2CCCC2
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 |
---|---|---|---|---|---|
4YQ9 | Download | Experimental | e4yq9A1 | alpha/beta knot | LigPlot |