Ligand name: (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
PDB ligand accession: XNI
DrugBank: n/a
PubChem: 44574817
ChEMBL: CHEMBL512956
InChI Key: KYABFOTZZRQAMR-LJAQVGFWSA-N
SMILES: CC(=O)N1c2ccccc2NC3=C(C1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O92972

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3CSO	Download	Experimental	e3csoA1 e3csoA2 e3csoB1 e3csoB2	helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits	LigPlot