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 Q9Y5Z0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZKQ	Download	Experimental	e3zkqA2 e3zkqA3	cradle loop barrel cradle loop barrel	LigPlot
3ZKG	Download	Experimental	e3zkgA2 e3zkgA3	cradle loop barrel cradle loop barrel	LigPlot
4BEL	Download	Experimental	e4belA2 e4belA3 e4belB2 e4belB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
4BFB	Download	Experimental	e4bfbB2 e4bfbB3	cradle loop barrel cradle loop barrel	LigPlot