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Ligand · 09S

09S · 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane

09S, 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane (C12 H18 Br N3 O, 300.2 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 residues it binds most and…

Component
09S
Formula
C12 H18 Br N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

09S in 2 structures; the first of them:

  • 3U8N · Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in… · 09S A211 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 8 more
  • 3U8N · Crystal structure of the acetylcholine binding protein (achbp) from lymnaea stagnalis in… · 09S A211 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 8 more

Residues it binds most

TYR 40, CYS 40, LEU 40, TRP 40, ALA 40, ARG 40, MET 40, SER 40, THR 40, GLN 30 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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