Ligand name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
PDB ligand accession: AUJ
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: IMARWCCDLODQKU-AWEZNQCLSA-N
SMILES: Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)C(C)(O)OO
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 P17597

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8ET4	Download	Experimental	e8et4A3	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
7TZZ	Download	Experimental	e7tzzA2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
8ET5	Download	Experimental	e8et5A2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot