PDB ligand accession: 46Y
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IFGDZGMJCVOVLP-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: 3-pyridinecarbonitriles
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4Y44 | Download | Experimental | e4y44A1 e4y44A2 | cradle loop barrel cradle loop barrel | LigPlot |