PDB ligand accession: H8H
DrugBank: DB11805
PubChem:
ChEMBL:
InChI Key: OUKYUETWWIPKQR-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
Drug action: modulator
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 |
---|---|---|---|---|---|
2H8H | Download | Experimental | e2h8hA3 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |