Ligand name: 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile
PDB ligand accession: 97E
DrugBank: n/a
PubChem: 131801403
ChEMBL: CHEMBL4064869
InChI Key: GQOVEMXVWLBEGU-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: Phenylbenzimidazoles

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
5NSP	Download	Experimental	e5nspB1	ADP-ribosylation	LigPlot