Ligand name: 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
PDB ligand accession: XBD
DrugBank: n/a
PubChem: 134457640
ChEMBL: CHEMBL4639395
InChI Key: OQFCHSFVWSLDAO-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of proteins that are targets for XBD

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	O15075_XBD	O15075	n/a