Ligand name: 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile
PDB ligand accession: JJS
DrugBank: n/a
PubChem: 23728722
ChEMBL: CHEMBL3617968
InChI Key: PGIVGIFOWOVINL-GOSISDBHSA-N
SMILES: CC1=C(C(NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P08246

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5A0A	Download	Experimental	e5a0aE1	cradle loop barrel	LigPlot