Ligand name: THIAMINE DIPHOSPHATE
PDB ligand accession: TPP
DrugBank: n/a
PubChem: 1132
ChEMBL: CHEMBL1236376
InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)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 P34736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XU2	Download	Experimental	e5xu2A1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5XRV	Download	Experimental	e5xrvA3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5I51	Download	Experimental	e5i51A3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5HYV	Download	Experimental	e5hyvA3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5I5E	Download	Experimental	e5i5eA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5XQA	Download	Experimental	e5xqaA3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5HJE	Download	Experimental	e5hjeA2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5XPS	Download	Experimental	e5xpsA3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5XS6	Download	Experimental	e5xs6A3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot