PDB ligand accession: 7X2
DrugBank: DB07250
PubChem:
ChEMBL:
InChI Key: HMKLUOPMOJOUDZ-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzodioxoles
- Subclass: None
- Class: Benzodioxoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VWW | Download | Experimental | e2vwwA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |