Ligand name: (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE
PDB ligand accession: I08
DrugBank: n/a
PubChem: 657003
ChEMBL: CHEMBL283457
InChI Key: QXALMENQPNPILV-ANFMQWFKSA-N
SMILES: COc1ccc(c(c1F)C(=O)c2ccc(cc2)C=CC3CCCNCC3NC(=O)c4ccncc4)O
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
1SVH	Download	Experimental	e1svhA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot