Ligand name: N-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide
PDB ligand accession: 81C
DrugBank: n/a
PubChem: 129281618
ChEMBL: n/a
InChI Key: ISCOXTRBFQCVIH-UHFFFAOYSA-N
SMILES: CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC
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
5GTZ	Download	Experimental	e5gtzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot