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Ligand · S6Q

S6Q · ~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine

S6Q, ~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine (C23 H22 N2 O3 S, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
S6Q
Formula
C23 H22 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S6Q in 2 structures; the first of them:

  • 7AWG · Crystal structure of human butyrylcholinesterase in complex with… · S6Q A605 · binds ASP70, GLY78, TRP82, GLY116, GLY117, GLN119, THR120, SER198 and 15 more
  • 7AWG · Crystal structure of human butyrylcholinesterase in complex with (2… · S6Q A605 · binds ASP70, GLY78, TRP82, GLY116, GLY117, GLN119, THR120, SER198 and 15 more

Residues it binds most

GLY 2, TRP 2, PHE 2, SER 2, THR 2, TYR 2, ALA 2, ASN 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

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

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