Ligand name: 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile
PDB ligand accession: 92T
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL4095003
InChI Key: MYNRZMIPPXBMLY-WKILWMFISA-N
SMILES: c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Triazoles

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
5NOB	Download	Experimental	e5nobA1 e5nobB1	ADP-ribosylation ADP-ribosylation	LigPlot