Ligand name: 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide
PDB ligand accession: 1J3
DrugBank: n/a
PubChem: 25253376
ChEMBL: CHEMBL2392544
InChI Key: IVRPFXYSCCXTAK-MUUNZHRXSA-N
SMILES: CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(C=C)F)C5CCCC5

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrimidodiazepines
      • Subclass: None

List of proteins that are targets for 1J3

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P53350_1J3	P53350	n/a