Ligand name: 2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one
PDB ligand accession: R7P
DrugBank: n/a
PubChem: 155804523
ChEMBL: CHEMBL4792672
InChI Key: YEUMCRKFUPOKOM-IYBDPMFKSA-N
SMILES: Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5CC(NC(C5)C)C
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 Q07912

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VQM	Download	Experimental	e6vqmA1 e6vqmB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot