Ligand name: 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
PDB ligand accession: 630
DrugBank: n/a
PubChem: 135036586
ChEMBL: n/a
InChI Key: LYWNQEMCSWYHEM-RISCZKNCSA-N
SMILES: CCC(=O)N1CC(C(C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl
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 P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HG7	Download	Experimental	e5hg7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot