Ligand name: 2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
PDB ligand accession: 4J7
DrugBank: n/a
PubChem: 91801159
ChEMBL: CHEMBL5185225
InChI Key: HHJSKDRCUMVWKF-UHFFFAOYSA-N
SMILES: Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein O00444

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YUR	Download	Experimental	e4yurA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot