Ligand name: 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
PDB ligand accession: 05J
DrugBank: DB18028
PubChem: 139467635
ChEMBL: CHEMBL5095036
InChI Key: OXTSYWDBUVRXFF-GDLZYMKVSA-N
SMILES: CCC1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)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 P30291

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7N3U	Download	Experimental	e7n3uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot