Ligand name: N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE
PDB ligand accession: R68
DrugBank: n/a
PubChem: 5289254
ChEMBL: n/a
InChI Key: LLDRWTNKJQFSDC-KQZWIPHESA-N
SMILES: CC1(CCCNC1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)NC4CCCNCC4NC(=O)c5ccncc5)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzophenones

List of PDB structures and/or AlphaFold models with target protein P00517

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XH5	Download	Experimental	e1xh5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
1XHA	Download	Experimental	e1xhaA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot