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

ClassyFire chemical classification:

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

List of proteins that are targets for VYJ

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q15059_VYJ	Q15059	Bromodomain-containing protein 3	n/a
2	Q58F21_VYJ	Q58F21	Bromodomain testis-specific protein	n/a
3	U3KQA6_VYJ	U3KQA6	Bromodomain-containing protein 2	n/a
4	O60885_VYJ	O60885	Bromodomain-containing protein 4	n/a