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 hexylcarbamate
PDB ligand accession: 7TM
DrugBank: n/a
PubChem: 66545760
ChEMBL: CHEMBL2171843
InChI Key: HGCSBLLHUYZWLK-SSEXGKCCSA-N
SMILES: CCCCCCNC(=O)Oc1ccc(cc1)CC2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C
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 Q04631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GTM	Download	Experimental	e4gtmA1 e4gtmB1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot