Ligand name: 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile
PDB ligand accession: 1AK
DrugBank: n/a
PubChem: 67960134
ChEMBL: CHEMBL2325503
InChI Key: HIWVLHPKZNBSBE-OUKQBFOZSA-N
SMILES: CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)C=Cc4nnc(o4)c5ccc(cc5)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HYF	Download	Experimental	e4hyfA1 e4hyfB2 e4hyfC2	ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot