Ligand name: N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PDB ligand accession: 8JC
DrugBank: DB11907
PubChem: 57335384
ChEMBL: CHEMBL3545308
InChI Key: HUFOZJXAKZVRNJ-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F
Drug action: modulator

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
5XDK	Download	Experimental	e5xdkA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5XDL	Download	Experimental	e5xdlA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot