Ligand name: 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
PDB ligand accession: 4OQ
DrugBank: n/a
PubChem: 91808045
ChEMBL: CHEMBL3609330
InChI Key: NQBRFDSRSGHBBK-UHFFFAOYSA-N
SMILES: CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodiazepines
      • Subclass: Dibenzodiazepines

List of PDB structures and/or AlphaFold models with target protein Q13153

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZJI	Download	Experimental	e4zjiA1 e4zjiB1 e4zjiC1 e4zjiD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot