Ligand name: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
PDB ligand accession: B3P
DrugBank: DB02676
PubChem: 125132
ChEMBL: CHEMBL63859
InChI Key: HHKZCCWKTZRCCL-UHFFFAOYSA-N
SMILES: C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein P40149

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JI7	Download	Experimental	e2ji7A2 e2ji7B1 e2ji7B2 e2ji7A1	Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like	LigPlot
2JI9	Download	Experimental	e2ji9B3 e2ji9A3	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
2JI6	Download	Experimental	e2ji6A3 e2ji6B3	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot