Ligand name: 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
PDB ligand accession: 2RR
DrugBank: n/a
PubChem: 11176685
ChEMBL: CHEMBL3422109
InChI Key: LSFOZQQVTWFMNS-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q6B856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4O2A	Download	Experimental	e4o2aA1 e4o2aA2 e4o2aB1 e4o2aB2 e4o2aC4 e4o2aD1 e4o2aD2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot