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Ligand · TI9

TI9 · 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine

TI9, 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine (C11 H12 N2, 172.2 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 the ligands…

Component
TI9
Formula
C11 H12 N2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TI9 in 2 structures; the first of them:

  • 4ZRU · X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in… · TI9 A303 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS188, TYR192, TRP53 and 4 more
  • 4ZRU · X-ray crystal structure of lymnaea stagnalis acetylcholine binding protein (ls-achbp) in… · TI9 A303 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS188, TYR192, TRP53 and 4 more

Residues it binds most

TYR 20, TRP 20, ARG 20, CYS 20, LEU 20, MET 20, SER 20, THR 20 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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