PDB ligand accession: 4DI
DrugBank: DB07106
PubChem:
ChEMBL:
InChI Key: UFYJLJINUGVUHO-UHFFFAOYSA-N
SMILES: [H]N=C(N)SCCCCN(C)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Isothioureas
- Subclass: None
- Class: Isothioureas
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2AOV | Download | Experimental | e2aovA1 e2aovB1 | Rossmann-like Rossmann-like | LigPlot |