Ligand name: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I UM
PDB ligand accession: VNP
DrugBank: n/a
PubChem: 11840993
ChEMBL: n/a
InChI Key: LWNISHVQCROCTL-UHFFFAOYSA-O
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(NP(=O)(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 Q59N99

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2G9Z	Download	Experimental	e2g9zA1 e2g9zB1 e2g9zB2 e2g9zA1 e2g9zA2 e2g9zB1	Thiamin pyrophosphokinase, catalytic domain Thiamin pyrophosphokinase, catalytic domain jelly-roll Thiamin pyrophosphokinase, catalytic domain jelly-roll Thiamin pyrophosphokinase, catalytic domain	LigPlot