PDB ligand accession: AQO
DrugBank: DB03780
PubChem: 242831;5287697;135403814;
ChEMBL:
InChI Key: SDTFBAXSPXZDKC-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)NC(=N2)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 |
---|---|---|---|---|---|
1S39 | Download | Experimental | e1s39A1 | TIM beta/alpha-barrel | LigPlot |