Ligand name: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
PDB ligand accession: TDK
DrugBank: n/a
PubChem: 6518182
ChEMBL: n/a
InChI Key: ILGXNMPRCMTAOK-HNNXBMFYSA-O
SMILES: Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(O)P(=O)(O)OC)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 P0AEP7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BEO	Download	Experimental	e8beoA1 e8beoA2 e8beoA3 e8beoB1 e8beoB2 e8beoB3 e8beoC1 e8beoC2 e8beoC3 e8beoE1 e8beoE2 e8beoD1 e8beoD2 e8beoD3 e8beoF1 e8beoC2 e8beoE1 e8beoE2 e8beoE3 e8beoD1 e8beoF1 e8beoF2 e8beoF3	Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like 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) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like	LigPlot