Ligand name: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
PDB ligand accession: P1E
DrugBank: DB08341
PubChem: 25920890
ChEMBL: CHEMBL509485
InChI Key: CAUFYHKGKDJMQG-HZPDHXFCSA-N
SMILES: CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC3CCCC3N(C)C)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q05397

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6YVY	Download	Experimental	e6yvyA1 e6yvyB1 e6yvyC1 e6yvyD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot