Ligand name: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde
PDB ligand accession: 7TP
DrugBank: n/a
PubChem: 54762597
ChEMBL: CHEMBL2171691
InChI Key: HXGORCFYRJWSGR-AREMUKBSSA-N
SMILES: Cn1cncc1CN2CC(N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O
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
4GTS	Download	Experimental	e4gtsA1 e4gtsB1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot