Ligand name: 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
PDB ligand accession: BIJ
DrugBank: n/a
PubChem: 49866705
ChEMBL: n/a
InChI Key: YKRBTLCKGPASPO-SFHVURJKSA-N
SMILES: CN1CCN(CC1)c2ccc(c(c2)OC)N=C3N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)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 Q00944

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JKO	Download	Experimental	e2jkoA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot