PDB ligand accession: AIQ
DrugBank: DB04543
PubChem: 446622;5287658;135460962;
ChEMBL: n/a
InChI Key: CEWKWXPCQGWWBM-UHFFFAOYSA-N
SMILES: c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N
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 |
---|---|---|---|---|---|
1K4G | Download | Experimental | e1k4gA1 | TIM beta/alpha-barrel | LigPlot |
1Q63 | Download | Experimental | e1q63A1 | TIM beta/alpha-barrel | LigPlot |