Ligand name: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate
PDB ligand accession: 7TO
DrugBank: n/a
PubChem: 66545761
ChEMBL: CHEMBL2171689
InChI Key: UWPNBUBRZHEORK-XMMPIXPASA-N
SMILES: Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodiazepines
      • Subclass: 1,4-benzodiazepines

List of PDB structures and/or AlphaFold models with target protein Q02293

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GTO	Download	Experimental	e4gtoB1	Repetitive alpha hairpins	LigPlot