PDB ligand accession: C0J
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YVRWCTBZWMJROU-UHFFFAOYSA-N
SMILES: c1ccnc(c1)CCNc2cccc(c2C#N)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzonitriles
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6AWE | Download | Experimental | e6aweA1 | Phosphorylase/hydrolase-like | LigPlot |