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 Q6FV03

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NM3	Download	Experimental	e3nm3A4 e3nm3B2 e3nm3C2 e3nm3D4 e3nm3E2 e3nm3F2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3NL3	Download	Experimental	e3nl3A4 e3nl3B2 e3nl3C2 e3nl3D2 e3nl3E2 e3nl3F2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3NL6	Download	Experimental	e3nl6A2 e3nl6B2 e3nl6C2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot