Ligand name: N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide
PDB ligand accession: 634
DrugBank: n/a
PubChem: 137348423
ChEMBL: n/a
InChI Key: YWNHZBNRKJYHTR-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HG8	Download	Experimental	e5hg8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot