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 P14618

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NU5	Download	Experimental	e6nu5A1 e6nu5A3 e6nu5B2 e6nu5A3 e6nu5B1 e6nu5B2	cradle loop barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot
6NUB	Download	Experimental	e6nubA1 e6nubA3 e6nubB3 e6nubA3 e6nubB1 e6nubB3	cradle loop barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot
6B6U	Download	Experimental	e6b6uA2 e6b6uA3 e6b6uB1 e6b6uA2 e6b6uB1 e6b6uB2	TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel cradle loop barrel	LigPlot