Ligand name: 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
PDB ligand accession: BII
DrugBank: n/a
PubChem: 52945394
ChEMBL: n/a
InChI Key: GLVPQZCTTHRANR-ZYGFWXSESA-N
SMILES: CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CCC(C4)NC)Cl
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 Q00944

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JKM	Download	Experimental	e2jkmA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot