Ligand name: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
PDB ligand accession: 4OR
DrugBank: n/a
PubChem: 91808046;135567021;
ChEMBL: CHEMBL3609371
InChI Key: NIVBGOGCJSMNMG-KRWDZBQOSA-N
SMILES: CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)NC4CCN(C4)C(=O)NC(C)(C)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
4ZJJ	Download	Experimental	e4zjjA1 e4zjjB1 e4zjjC1 e4zjjD1	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