Ligand name: 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
PDB ligand accession: TDN
DrugBank: n/a
PubChem: 137350048
ChEMBL: n/a
InChI Key: MLWWWBMKISFTSY-NTCAYCPXSA-N
SMILES: CCC(=C1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O
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 Q96Y68

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5B48	Download	Experimental	e5b48B1 e5b48A1 e5b48A3 e5b48C1	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) P-loop domains-like Thiamin diphosphate-binding fold (THDP-binding)	LigPlot