Ligand name: (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
PDB ligand accession: N0T
DrugBank: n/a
PubChem: 154572779
ChEMBL: n/a
InChI Key: UZTOTQLQFAGSAI-NDKCEZKHSA-N
SMILES: CCCCCCCCNC1C(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
6TBF	Download	Experimental	e6tbfA1 e6tbfC1 e6tbfA1 e6tbfA2 e6tbfB1 e6tbfC2 e6tbfH2 e6tbfD2 e6tbfE1 e6tbfE2 e6tbfE1 e6tbfE2 e6tbfG1 e6tbfD1 e6tbfF2 e6tbfF1 e6tbfG2 e6tbfB2 e6tbfH1	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 TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel	LigPlot