Ligand name: C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN
PDB ligand accession: WWF
DrugBank: n/a
PubChem: 11840994
ChEMBL: n/a
InChI Key: OZAWOYZVNPQFFO-CQSZACIVSA-O
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(CC(C)C)O)CCOP(=O)(O)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

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
1WCI	Download	Experimental	e1wciA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot