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Ligand · 09R

09R · 1-(6-bromopyridin-3-yl)-1,4-diazepane

09R, 1-(6-bromopyridin-3-yl)-1,4-diazepane (C10 H14 Br N3, 256.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
09R
Formula
C10 H14 Br N3
Class
ligand
Structures
4
PDB entries
2

Binding sites

09R in 4 structures; the first of them:

  • 3U8M · Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in… · 09R A211 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 7 more
  • 4UM3 · Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 · 09R A301 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 7 more

Residues it binds most

TYR 120, TRP 120, CYS 120, THR 120, LEU 118, ALA 120, SER 120, GLN 80, HIS 80, ARG 40 (residue and the binding sites it lines).

Found with

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

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