Ligand name: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
PDB ligand accession: LW8
DrugBank: n/a
PubChem: 165404;3037043;124079411;
ChEMBL: CHEMBL4303270
InChI Key: SSISHJJTAXXQAX-ZETCQYMHSA-O
SMILES: C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein B3ECE3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6KW0	Download	Experimental	e6kw0A2 e6kw0A3 e6kw0B2 e6kw0B3	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
6KU1	Download	Experimental	e6ku1A2 e6ku1A3 e6ku1B1 e6ku1B2	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot