Ligand name: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
PDB ligand accession: 3FE
DrugBank: n/a
PubChem: 72706840
ChEMBL: CHEMBL3393348
InChI Key: BHTWDJBVZQBRKP-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)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
4U8Z	Download	Experimental	e4u8zA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot