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Ligand · SJY

SJY · 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid

SJY, 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid (C17 H12 O3 S, 296.3 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…

Component
SJY
Formula
C17 H12 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

SJY in 2 structures; the first of them:

  • 6W42 · HIV Integrase core domain in complex with inhibitor… · SJY A307 · binds GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128, ALA129 and 1 more
  • 6W42 · HIV integrase core domain in complex with inhibitor 2-(5-methyl-2-(2… · SJY A307 · binds GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128, ALA129 and 1 more

Residues it binds most

ALA 2, GLN 2, GLU 2, LEU 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • SO4 · Sulfate ion

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