PDB ligand accession: 0IF
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IQUNZGOZUJITBJ-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)F)C#N)N
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 |
---|---|---|---|---|---|
8DXE | Download | Experimental | e8dxeA1 e8dxeB2 | Alpha-beta plaits Alpha-beta plaits | LigPlot |