Ligand name: 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one
PDB ligand accession: 92M
DrugBank: n/a
PubChem: 25271586
ChEMBL: CHEMBL1230645
InChI Key: KBILTEUAXWLXKP-UHFFFAOYSA-N
SMILES: CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

List of PDB structures and/or AlphaFold models with target protein P33981

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3H9F	Download	Experimental	e3h9fA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot