PDB ligand accession: ZD6
DrugBank: DB05294
PubChem:
ChEMBL:
InChI Key: UHTHHESEBZOYNR-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
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 |
---|---|---|---|---|---|
2IVU | Download | Experimental | e2ivuA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |