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Ligand · R0H

R0H · methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate

R0H, methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate (C17 H17 F N4 O3, 344.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
R0H
Formula
C17 H17 F N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

R0H in 2 structures; the first of them:

  • 5SR9 · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · R0H A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, ALA129, GLY130 and 4 more
  • 5SR9 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · R0H A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, ALA129, GLY130 and 4 more

Residues it binds most

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

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