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Ligand · ROO

ROO · 2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid

ROO, 2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid (C17 H14 N4 O3, 322.3 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…

Component
ROO
Formula
C17 H14 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

ROO in 2 structures; the first of them:

  • 5SSE · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · ROO A201 · binds ALA129, GLY130, GLY133, ALA134, ASP135, PRO136, VAL155, PHE156 and 2 more
  • 5SSE · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · ROO A201 · binds ALA129, GLY130, GLY133, ALA134, ASP135, PRO136, VAL155, PHE156 and 2 more

Residues it binds most

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

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