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Ligand · XFS

XFS · 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid

XFS, 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid (C20 H14 O5, 334.3 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…

Component
XFS
Formula
C20 H14 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

XFS in 2 structures; the first of them:

  • 7L23 · HIV Integrase core domain in complex with inhibitor… · XFS A308 · binds GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128, ALA129 and 1 more
  • 7L23 · HIV integrase core domain in complex with inhibitor 2-(5-(3… · XFS A308 · binds GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128, ALA129

Residues it binds most

ALA 2, GLN 2, GLU 2, LEU 2, THR 2, TYR 2, TRP 1 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • SO4 · Sulfate ion

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