PDB ligand accession: AQ4
DrugBank: DB00530
PubChem:
ChEMBL:
InChI Key: AAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILES: COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
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 |
---|---|---|---|---|---|
6DWN | Download | Experimental | e6dwnA1 e6dwnB1 e6dwnC1 e6dwnD1 | Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 | LigPlot |