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 benzylcarbamate
PDB ligand accession: 7TQ
DrugBank: n/a
PubChem: 54762496
ChEMBL: CHEMBL2171687
InChI Key: ISPKWTLKQCPKQN-WJOKGBTCSA-N
SMILES: Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6
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 Q08603

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GTT	Download	Experimental	e4gttB2 e4gttA1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot