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Ligand · U08

U08 · (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-F][1, 2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl) oxolane-2-carbonitrile

U08, (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-F][1, 2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl) oxolane-2-carbonitrile (C12 H13 N5 O4, 291.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB…

Component
U08
Formula
C12 H13 N5 O4
Class
ligand
Structures
5
PDB entries
3

Binding sites

U08 in 5 structures; the first of them:

  • 7BF6 · Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite… · U08 A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, LEU126, ALA129 and 5 more
  • 7QG7 · SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 · U08 A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, LEU126, ALA129 and 6 more
  • 8TZ4 · Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with… · U08 A801 · binds GLY346, GLN347, THR348, GLU349, ALA378, SER380, VAL381, TYR385 and 9 more
  • 7BF6 · Crystal structure of SARS-cov-2 macrodomain in complex with remdesivir metabolite… · U08 A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, LEU126, ALA129 and 5 more
  • 7QG7 · SARS-cov-2 macrodomain NSP3B bound to the remdesivir nucleoside gs- 441524 · U08 A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, LEU126, ALA129 and 6 more

Residues it binds most

ALA 11, LEU 11, VAL 11, ASP 10, GLY 11, PHE 11, ILE 11, SER 3, ASN 1, GLU 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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