Ligand name: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PDB ligand accession: 3C9
DrugBank: n/a
PubChem: 59363349
ChEMBL: CHEMBL3335685
InChI Key: UTTDMGAEOAWZGU-LBPRGKRZSA-N
SMILES: CC(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrazines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P52333

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QT1	Download	Experimental	e4qt1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot