Ligand name: C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE
PDB ligand accession: THV
DrugBank: n/a
PubChem: 73122535
ChEMBL: n/a
InChI Key: VBABUKBBNKNHAI-UHFFFAOYSA-N
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)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
2J9F	Download	Experimental	e2j9fD4 e2j9fA1 e2j9fB4 e2j9fC1	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
2BEU	Download	Experimental	e2beuA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot