Ligand name: ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
PDB ligand accession: L0Q
DrugBank: n/a
PubChem: 139210950
ChEMBL: CHEMBL5220645
InChI Key: WLQUQTHWWMACGB-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

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
6S89	Download	Experimental	e6s89A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot