Ligand name: 2-[(9aR)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate
PDB ligand accession: HTD
DrugBank: n/a
PubChem: 46850854
ChEMBL: n/a
InChI Key: YMICAUCZSWITQD-GFCCVEGCSA-N
SMILES: Cc1ncc2c(n1)NC3N(C2)C(=C(S3)CCOP(=O)(O)OP(=O)(O)O)C
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 D6PAH1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3AHG	Download	Experimental	e3ahgA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot