Ligand name: 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one
PDB ligand accession: VG8
DrugBank: n/a
PubChem: 24892819
ChEMBL: n/a
InChI Key: CXZCUCWQLXRDJA-UHFFFAOYSA-N
SMILES: CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoindoles and derivatives
      • Subclass: Isoindolines

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
2JKQ	Download	Experimental	e2jkqA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot