Ligand name: Thiamine
PDB ligand accession: VIB
DrugBank: DB00152
InChI Key: JZRWCGZRTZMZEH-UHFFFAOYSA-N
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
Drug action: substrate

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9H3S4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9H3S4	Download	Predicted	Q9H3S4_F1_nD2 Q9H3S4_F1_nD1	jelly-roll Thiamin pyrophosphokinase, catalytic domain
3S4Y		Predicted	e3s4yA1 e3s4yB1 e3s4yA2 e3s4yB2