Ligand name: 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
PDB ligand accession: N0Q
DrugBank: n/a
PubChem: 154573801
ChEMBL: n/a
InChI Key: YUUSOYGEJQMOTK-IKJKNFHUSA-N
SMILES: CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalene sulfonic acids and derivatives

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
6TBK	Download	Experimental	e6tbkA2 e6tbkC2 e6tbkA1 e6tbkB2 e6tbkC1 e6tbkH1 e6tbkD2 e6tbkE1 e6tbkE2 e6tbkE1 e6tbkE2 e6tbkG2 e6tbkD1 e6tbkF1 e6tbkF2 e6tbkG1 e6tbkB1 e6tbkH2	TIM beta/alpha-barrel Glycosyl hydrolase domain-like 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 TIM beta/alpha-barrel 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