Ligand name: THIAMIN PHOSPHATE
PDB ligand accession: TPS
DrugBank: DB03416
PubChem: 1131
ChEMBL: CHEMBL1236378
InChI Key: HZSAJDVWZRBGIF-UHFFFAOYSA-O
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=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 P39594

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2TPS	Download	Experimental	e2tpsA1 e2tpsB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
1G4S	Download	Experimental	e1g4sA1 e1g4sB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot