Ligand name: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
PDB ligand accession: 2KW
DrugBank: DB12301
PubChem: 58460047
ChEMBL: CHEMBL2364608
InChI Key: ZIAOVIPSKUPPQW-UHFFFAOYSA-N
SMILES: CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NCG	Download	Experimental	e4ncgA5 e4ncgA8	Ribonuclease H-like Alpha-beta plaits	LigPlot