Ligand name: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM
PDB ligand accession: VIB
DrugBank: DB00152
PubChem: 1130
ChEMBL: CHEMBL1547
InChI Key: JZRWCGZRTZMZEH-UHFFFAOYSA-N
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
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 Q9R0M5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1IG3	Download	Experimental	e1ig3B2 e1ig3A1 e1ig3A2 e1ig3B1	Thiamin pyrophosphokinase, catalytic domain jelly-roll Thiamin pyrophosphokinase, catalytic domain jelly-roll	LigPlot