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Ligand · RT5

RT5 · (8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid

RT5, (8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid (C18 H17 F2 N5 O2, 373.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
RT5
Formula
C18 H17 F2 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

RT5 in 2 structures; the first of them:

  • 5SSO · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · RT5 A202 · binds ASP22, ILE23, VAL24, GLY48, VAL49, ALA52, ALA129, GLY130 and 6 more
  • 5SSO · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · RT5 A202 · binds ASP22, ILE23, VAL24, GLY48, VAL49, ALA52, ALA129, GLY130 and 6 more

Residues it binds most

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

Found with

  • RSR · (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid

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