Ligand name: 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE
PDB ligand accession: HE3
DrugBank: DB03361
PubChem: 447750
ChEMBL: n/a
InChI Key: UQFVHIGKDHNMJT-XPTSAGLGSA-N
SMILES: Cc1ncc2c(n1)NC3(N(C2)C(=C(S3)CCOP(=O)(O)OP(=O)(O)O)C)C(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 P27696

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1OZH	Download	Experimental	e1ozhA3 e1ozhB2 e1ozhA2 e1ozhB3 e1ozhD2 e1ozhC3 e1ozhC2 e1ozhD3	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) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
1OZG	Download	Experimental	e1ozgA3 e1ozgB3	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot