PDB ligand accession: 5BM
DrugBank: DB17060
PubChem:
ChEMBL:
InChI Key: DVEXZJFMOKTQEZ-JYFOCSDGSA-N
SMILES: c1ccc(c(c1)N)SC(=C(C#N)C(=C(N)Sc2ccccc2N)C#N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Thioethers
- Subclass: Aryl thioethers
- Class: Thioethers
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3EQH | Download | Experimental | e3eqhA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |