Ligand name: 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
PDB ligand accession: 3JB
DrugBank: n/a
PubChem: 91623338
ChEMBL: CHEMBL3393450
InChI Key: SAOVTENLRUIQAM-MRXNPFEDSA-N
SMILES: Cc1nc(no1)C2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein Q9Y6E0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4W8E	Download	Experimental	e4w8eA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot