Ligand name: 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
PDB ligand accession: LIR
DrugBank: n/a
PubChem: 49867240;60206639;
ChEMBL: n/a
InChI Key: WVRGIUWTFUXDGX-AWEZNQCLSA-O
SMILES: CN1C(=O)c2c([n+](c([nH]2)N3CCCC(C3)N)Cc4ccccc4C#N)C1=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzonitriles

List of PDB structures and/or AlphaFold models with target protein P14740

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2I3Z	Download	Experimental	e2i3zA1 e2i3zA2	beta-propeller-like alpha/beta-Hydrolases	LigPlot