Ligand name: (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
PDB ligand accession: LR1
DrugBank: n/a
PubChem: 72793929
ChEMBL: n/a
InChI Key: BSQKACVWQISROJ-QWQWKMKNSA-N
SMILES: c1cc(ccc1CNC2C(C(C(C2O)O)O)CO)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylmethylamines

List of PDB structures and/or AlphaFold models with target protein Q8GU20

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZJ8	Download	Experimental	e3zj8A1 e3zj8B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot