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Ligand · 3A9

3A9 · 2,3-dihydro-1-benzofuran-5-carboxylic acid

3A9, 2,3-dihydro-1-benzofuran-5-carboxylic acid (C9 H8 O3, 164.2 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
3A9
Formula
C9 H8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3A9 in 2 structures; the first of them:

  • 5RT1 · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · 3A9 A201 · binds ASP22, GLY48, VAL49, ALA52, GLY130, PHE156
  • 5RT1 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · 3A9 A201 · binds ASP22, GLY48, VAL49, ALA52, PHE156

Residues it binds most

GLY 2, ALA 2, ASP 2, PHE 2, VAL 2 (residue and the binding sites it lines).

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