PDB ligand accession: DTQ
DrugBank: DB03365
PubChem:
ChEMBL:
InChI Key: BNDYIYYKEIXHNK-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
1DI8 | Download | Experimental | e1di8A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |