Ligand name: 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
PDB ligand accession: 4K4
DrugBank: n/a
PubChem: 46843906
ChEMBL: CHEMBL2012582
InChI Key: IWMCPJZTADUIFX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C

ClassyFire chemical classification:

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

List of proteins that are targets for 4K4

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	O14757_4K4	O14757	Serine/threonine-protein kinase Chk1	n/a
2	Q6XHB2_4K4	Q6XHB2	Probable serine/threonine-protein kinase	n/a
3	Q58F21_4K4	Q58F21	Bromodomain testis-specific protein	n/a
4	P25440_4K4	P25440	Bromodomain-containing protein 2	n/a
5	O60885_4K4	O60885	Bromodomain-containing protein 4	n/a