Ligand name: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide
PDB ligand accession: FJI
DrugBank: n/a
PubChem: 129900105
ChEMBL: CHEMBL4095093
InChI Key: KZWLZLUTYGMNBM-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxepines
      • Subclass: Dibenzoxepines

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MTX	Download	Experimental	e5mtxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot