Ligand name: MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER
PDB ligand accession: DPX
DrugBank: n/a
PubChem: 5288109
ChEMBL: n/a
InChI Key: XHCFSNVIKLFNIT-WPVMNKCKSA-N
SMILES: Cc1ncc(c(n1)N)CNC(=C(C(COP(=O)(O)OP(=O)(O)O)O)S)C
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 P06672

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1ZPD	Download	Experimental	e1zpdA2 e1zpdA3 e1zpdB2 e1zpdA2 e1zpdB3 e1zpdF2 e1zpdE3 e1zpdE2 e1zpdF3 e1zpdE3	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot