Ligand name: [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE
PDB ligand accession: EUI
DrugBank: DB05239
PubChem: 16222096
ChEMBL: CHEMBL2146883
InChI Key: BSMCAPRUBJMWDF-KRWDZBQOSA-N
SMILES: c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(C4CCCCN4)O
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q02750

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AN2	Download	Experimental	e4an2A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4LMN	Download	Experimental	e4lmnA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7M0V	Download	Experimental	e7m0vA1 e7m0vB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot