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Ligand · TI4

TI4 · (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane

TI4, (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane (C14 H18 N2, 214.3 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…

Component
TI4
Formula
C14 H18 N2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TI4 in 2 structures; the first of them:

  • 5BRX · X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl… · TI4 A303 · binds TYR93, TRP147, VAL148, TYR188, CYS190, CYS191, TYR195, TRP55 and 3 more
  • 5BRX · X-ray crystal structure of aplysia californica (ac-achbp) in complex with 2-pyridyl… · TI4 A303 · binds TYR93, TRP147, VAL148, TYR188, CYS190, CYS191, TYR195, TRP55 and 3 more

Residues it binds most

TYR 8, CYS 8, TRP 8, VAL 8, ILE 8, MET 4, SER 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PG4 · Tetraethylene glycol

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