PDB ligand accession: 67T
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QQBVZBSMGUVONA-NSHDSACASA-N
SMILES: CC(C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#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 |
---|---|---|---|---|---|
5I4U | Download | Experimental | e5i4uA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |