Ligand name: 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PDB ligand accession: 3JA
DrugBank: n/a
PubChem: 72706837
ChEMBL: CHEMBL3393439
InChI Key: VNWKCLDQBNSJJO-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

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
4W8D	Download	Experimental	e4w8dA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot