Ligand name: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
PDB ligand accession: 3FF
DrugBank: n/a
PubChem: 45279963
ChEMBL: CHEMBL2152944
InChI Key: HXMGCTFLLWPVFM-GOSISDBHSA-N
SMILES: c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OCC(CO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Dibenzocycloheptenes
      • Subclass: None

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
6ZQS	Download	Experimental	e6zqsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3QUE	Download	Experimental	e3queA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot