PDB ligand accession: 0WB
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WLSORBAAVBPTGJ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#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 |
---|---|---|---|---|---|
4G3F | Download | Experimental | e4g3fA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |