Ligand name: Pyrithiamine Pyrophosphate
PDB ligand accession: PYI
DrugBank: DB04768
InChI Key: ZHKSTKOYQKNDSJ-UHFFFAOYSA-O
SMILES: Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)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 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