PDB ligand accession: 1C9
DrugBank: DB11963
PubChem:
ChEMBL:
InChI Key: LVXJQMNHJWSHET-AATRIKPKSA-N
SMILES: COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
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 |
---|---|---|---|---|---|
4I24 | Download | Experimental | e4i24A2 e4i24B2 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4I23 | Download | Experimental | e4i23A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |