Ligand name: 2,3-DIHYDROXY-1,4-DITHIOBUTANE
PDB ligand accession: DTT
DrugBank: DB04447
PubChem: 439196
ChEMBL: CHEMBL406270
InChI Key: VHJLVAABSRFDPM-IMJSIDKUSA-N
SMILES: C(C(C(CS)O)O)S
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein P0AEP7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BEO	Download	Experimental	e8beoA1 e8beoA2 e8beoA3 e8beoB1 e8beoB2 e8beoB3	Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
2PAN	Download	Experimental	e2panA5 e2panA6 e2panB4 e2panB5 e2panC4 e2panC5 e2panD4 e2panD5 e2panE4 e2panE5 e2panC2 e2panF4 e2panF5	Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like	LigPlot