Ligand name: Baricitinib
PDB ligand accession: 3JW
DrugBank: DB11817
PubChem: 44205240
ChEMBL: CHEMBL2105759
InChI Key: XUZMWHLSFXCVMG-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3
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 Q9NSY1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4W9X	Download	Experimental	e4w9xA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot