Ligand name: 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
PDB ligand accession: N0K
DrugBank: n/a
PubChem: 154573800
ChEMBL: n/a
InChI Key: YQJKLKLPVRSCCE-QRVLJTFESA-N
SMILES: CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3CC(C(C3CO)O)O
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
6TBH	Download	Experimental	e6tbhA2 e6tbhC2 e6tbhA1 e6tbhA2 e6tbhB1 e6tbhC1 e6tbhH1 e6tbhD2 e6tbhE1 e6tbhE2 e6tbhE1 e6tbhE2 e6tbhG1 e6tbhD1 e6tbhF2 e6tbhF1 e6tbhG2 e6tbhB2 e6tbhH2	TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like TIM beta/alpha-barrel 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