Ligand name: N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide
PDB ligand accession: 6K1
DrugBank: n/a
PubChem: 124219454
ChEMBL: CHEMBL4790022
InChI Key: KVAUYQFSODRWMC-UHFFFAOYSA-N
SMILES: CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylacetamides

List of PDB structures and/or AlphaFold models with target protein P04629

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JFV	Download	Experimental	e5jfvA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot