Ligand name: 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
PDB ligand accession: N0N
DrugBank: n/a
PubChem: 137640259
ChEMBL: CHEMBL4069909
InChI Key: UQDXIILZCYJPNV-GXWFBMCDSA-N
SMILES: CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C(C(C(C3O)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
6TBG	Download	Experimental	e6tbgA1 e6tbgC2 e6tbgA2 e6tbgB1 e6tbgC1 e6tbgH2 e6tbgD1 e6tbgE1 e6tbgE2 e6tbgE1 e6tbgE2 e6tbgG1 e6tbgG2 e6tbgD2 e6tbgF2 e6tbgF1 e6tbgG1 e6tbgB2 e6tbgH1	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 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