Ligand name: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
PDB ligand accession: 4WG
DrugBank: n/a
PubChem: 46843772
ChEMBL: CHEMBL1673046
InChI Key: QAPAJIZPZGWAND-UHFFFAOYSA-N
SMILES: CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)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 Q13164

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BYY	Download	Experimental	e5byyA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot