Ligand name: C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE
PDB ligand accession: THW
DrugBank: n/a
PubChem: 73122536
ChEMBL: n/a
InChI Key: ZOLUTNQCUQSPSG-UHFFFAOYSA-N
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCOP(=O)(O)OP(=O)(O)O
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 P12694

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BEW	Download	Experimental	e2bewA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot