Ligand name: 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM
PDB ligand accession: HI6
DrugBank: n/a
PubChem: 91615;6818286;101826767;135412778;135590423;
ChEMBL: CHEMBL385181
InChI Key: FJZDLOMCEPUCII-UHFFFAOYSA-P
SMILES: c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P21836

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZLV	Download	Experimental	e3zlvA1 e3zlvB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
5FPP	Download	Experimental	e5fppA1 e5fppB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
2WHQ	Download	Experimental	e2whqA1 e2whqB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
2WHP	Download	Experimental	e2whpA1 e2whpB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
2GYU	Download	Experimental	e2gyuA1 e2gyuB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
2WU3	Download	Experimental	e2wu3A1 e2wu3B1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot