PDB ligand accession: D23
DrugBank: DB07612
PubChem:
ChEMBL:
InChI Key: XQKJVNGGVLHNLA-UHFFFAOYSA-N
SMILES: CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N
Drug action: n/a
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 |
---|---|---|---|---|---|
2B53 | Download | Experimental | e2b53A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |