Ligand name: N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
PDB ligand accession: 0UN
DrugBank: n/a
PubChem: 44607530
ChEMBL: CHEMBL1229592
InChI Key: ITTRLTNMFYIYPA-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl
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
3IKA	Download	Experimental	e3ikaA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5X2K	Download	Experimental	e5x2kA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7ZYN	Download	Experimental	e7zynA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot