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Ligand · S8K

S8K · ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate

S8K, ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate (C27 H35 N3 O5 S, 513.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
S8K
Formula
C27 H35 N3 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S8K in 2 structures; the first of them:

  • 7AWH · Crystal structure of human butyrylcholinesterase in complex with tert-butyl… · S8K A609 · binds TRP82, GLY116, GLY117, THR120, GLU197, SER198, TRP231, PRO285 and 9 more
  • 7AWH · Crystal structure of human butyrylcholinesterase in complex with tert- butyl… · S8K A609 · binds TRP82, GLY116, GLY117, THR120, GLU197, SER198, TRP231, PRO285 and 9 more

Residues it binds most

TRP 2, GLY 2, PHE 2, SER 2, ASN 2, GLU 2, HIS 2, LEU 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

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

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