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Ligand · 09P

09P · 1-(5-ethoxypyridin-3-yl)-1,4-diazepane

09P, 1-(5-ethoxypyridin-3-yl)-1,4-diazepane (C12 H19 N3 O, 221.3 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
09P
Formula
C12 H19 N3 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

09P in 4 structures; the first of them:

  • 3U8K · Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in… · 09P A211 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS188, TYR192, TRP53 and 3 more
  • 4UM1 · Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 · 09P A211 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 4 more
  • 3U8K · Crystal structure of the acetylcholine binding protein (achbp) from lymnaea stagnalis in… · 09P A211 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS188, TYR192, TRP53 and 3 more

Residues it binds most

TYR 50, TRP 50, CYS 50, THR 50, SER 50, ARG 40, LEU 40, MET 40, GLN 32, HIS 10 (residue and the binding sites it lines).

Found with

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

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