Ligand name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium
PDB ligand accession: 8PA
DrugBank: n/a
PubChem: 25113182
ChEMBL: n/a
InChI Key: HUCLASQGRJZNFE-RTRPANQVSA-O
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C=Cc3cccnc3)O)CCOP(=O)(O)OP(=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 P20906

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3F6E	Download	Experimental	e3f6eX2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
3F6B	Download	Experimental	e3f6bX2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot