Ligand name: N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide
PDB ligand accession: 3VF
DrugBank: n/a
PubChem: 118720234
ChEMBL: CHEMBL3354494
InChI Key: WCQQOAFZCDVMEP-UHFFFAOYSA-N
SMILES: CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Alpha-methyldeoxybenzoin flavonoids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein B9A5C1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WX4	Download	Experimental	e4wx4A1	Cysteine proteinases-like	LigPlot