Ligand name: 3'-DEAZO-THIAMIN DIPHOSPHATE
PDB ligand accession: N3T
DrugBank: DB02814
PubChem: 5180213
ChEMBL: n/a
InChI Key: NWZZJKMZTWGIFE-UHFFFAOYSA-N
SMILES: Cc1cc(c(cn1)C[n+]2csc(c2C)CCOP(=O)(O)OP(=O)(O)[O-])N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organic oxoanionic compounds
      • Subclass: Organic pyrophosphates

List of PDB structures and/or AlphaFold models with target protein P23254

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1TKA	Download	Experimental	e1tkaA2 e1tkaB2 e1tkaA3 e1tkaA2 e1tkaA3 e1tkaB3	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot