Ligand name: (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide
PDB ligand accession: VY1
DrugBank: n/a
PubChem: 118444235
ChEMBL: CHEMBL3919768
InChI Key: GDUURIYHJNAYDO-AWEZNQCLSA-N
SMILES: CNS(=O)(=O)N1CCC(C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7K6O	Download	Experimental	e7k6oA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot