PDB ligand accession: AQ4
DrugBank: DB00530
PubChem:
ChEMBL:
InChI Key: AAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILES: COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Drug action: antagonist
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 |
---|---|---|---|---|---|
1M17 | Download | Experimental | e1m17A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4HJO | Download | Experimental | e4hjoA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |