Ligand name: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE
PDB ligand accession: TF1
DrugBank: DB08608
PubChem: 6102761
ChEMBL: CHEMBL316388
InChI Key: IWFSHKKFDSWNLZ-BWACUDIHSA-N
SMILES: CC1CN(C(CN1C(=O)C(C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q15119

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BU2	Download	Experimental	e2bu2A4	Bromodomain-like	LigPlot
2BU5	Download	Experimental	e2bu5A4	Bromodomain-like	LigPlot