Ligand name: 1'-DEAZO-THIAMIN DIPHOSPHATE
PDB ligand accession: N1T
DrugBank: DB01658
PubChem: 5180212
ChEMBL: n/a
InChI Key: JHNXLHRDUXBCJW-UHFFFAOYSA-N
SMILES: Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCOP(=O)(O)OP(=O)(O)[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 P23254

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1TKB	Download	Experimental	e1tkbB2 e1tkbA2 e1tkbA3 e1tkbA2 e1tkbA3 e1tkbB3	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