PDB ligand accession: KMB
DrugBank: DB04239
PubChem: 5288673;6323390;135509113;
ChEMBL: n/a
InChI Key: CBFXRTSHUMEYKQ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Q66 | Download | Experimental | e1q66A1 | TIM beta/alpha-barrel | LigPlot |