Ligand name: ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
PDB ligand accession: GUT
DrugBank: n/a
PubChem: 145945998
ChEMBL: CHEMBL4795863
InChI Key: SJISLOFCWOMXJD-UHFFFAOYSA-N
SMILES: CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O
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 P00523

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HVF	Download	Experimental	e6hvfA1 e6hvfB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot