Ligand name: tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
PDB ligand accession: VY4
DrugBank: n/a
PubChem: 118436056
ChEMBL: CHEMBL3901131
InChI Key: MEWKDLGRKBRJAF-DEOSSOPVSA-N
SMILES: CC1(CCN(C1)C(=O)OC(C)(C)C)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
7K6N	Download	Experimental	e7k6nA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot