Ligand name: (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
PDB ligand accession: N8V
DrugBank: n/a
PubChem: 10039700
ChEMBL: CHEMBL1922581
InChI Key: UPZUHYMBTUUPML-QPSCCSFWSA-N
SMILES: CCCCCCCCNC1C=C(C(C(C1O)O)O)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein B3PBE0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TBI	Download	Experimental	e6tbiA1 e6tbiC2 e6tbiA1 e6tbiA2 e6tbiB2 e6tbiH1 e6tbiC1 e6tbiD2 e6tbiE1 e6tbiE2 e6tbiE1 e6tbiE2 e6tbiG2 e6tbiD1 e6tbiF2 e6tbiF1 e6tbiG1 e6tbiH2 e6tbiB1	TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like	LigPlot