Ligand name: C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE
PDB ligand accession: THY
DrugBank: n/a
PubChem: 139033535
ChEMBL: n/a
InChI Key: MZVVOGXJVCPANP-JTQLQIEISA-N
SMILES: CCC(C)[C-](c1[n+](c(c(s1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)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
2BEV	Download	Experimental	e2bevA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot