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Ligand · HUN

HUN · butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

HUN, butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium (C24 H38 N3 O +1, 384.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
HUN
Formula
C24 H38 N3 O +1
Class
ligand
Structures
1
PDB entries
1

Binding sites

HUN in 1 structure; the first of them:

  • 6QAA · Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1… · HUN A613 · binds ASP70, GLY78, TRP82, GLY116, GLY117, THR120, SER198, TRP231 and 12 more
  • 6QAA · Human butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2… · HUN A613 · binds ASP70, TRP82, GLY116, GLY117, THR120, SER198, TRP231, PRO285 and 7 more

Residues it binds most

TRP 2, GLY 2, PHE 2, SER 2, TYR 2, ALA 2, ASP 2, HIS 2, LEU 2, PRO 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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