Ligand name: 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
PDB ligand accession: VYJ
DrugBank: n/a
PubChem: 71604307
ChEMBL: CHEMBL2381340
InChI Key: XVBGRTMNFNMINE-UHFFFAOYSA-N
SMILES: CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoyl derivatives

List of PDB structures and/or AlphaFold models with target protein Q58F21

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7L73	Download	Experimental	e7l73A1	Bromodomain-like	LigPlot
7LEK	Download	Experimental	e7lekA1 e7lekC1 e7lekD1 e7lekB1 e7lekA1 e7lekC1 e7lekA1 e7lekD1	Bromodomain-like Bromodomain-like Bromodomain-like Bromodomain-like Bromodomain-like Bromodomain-like Bromodomain-like Bromodomain-like	LigPlot