Ligand name: (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
PDB ligand accession: 0OF
DrugBank: n/a
PubChem: 56947179
ChEMBL: n/a
InChI Key: XKOABKQMKVLVHH-SANMLTNESA-N
SMILES: CCN1c2ccc(cc2N(C(=O)C(C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein Q79791

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4E91	Download	Experimental	e4e91A1	Retrovirus capsid protein	LigPlot