Ligand name: 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM
PDB ligand accession: PYI
DrugBank: DB04768
PubChem: 5327150
ChEMBL: n/a
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 Q9R0M5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2F17	Download	Experimental	e2f17A2 e2f17B1 e2f17B2 e2f17A1	Thiamin pyrophosphokinase, catalytic domain jelly-roll Thiamin pyrophosphokinase, catalytic domain jelly-roll	LigPlot