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Ligand · W6J

W6J · 1-(pyridin-2-yl)-1,4-diazepane

W6J, 1-(pyridin-2-yl)-1,4-diazepane (C10 H15 N3, 177.2 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 found…

Component
W6J
Formula
C10 H15 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

W6J in 2 structures; the first of them:

  • 5RUV · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · W6J B201 · binds TYR42, ILE69, ALA70, THR71, ASN72, GLY73, PRO74
  • 5RUV · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · W6J B201 · binds TYR42, ILE69, ALA70, THR71, ASN72, GLY73, PRO74

Residues it binds most

ALA 2, ASN 2, GLY 2, ILE 2, PRO 2, THR 2, TYR 2 (residue and the binding sites it lines).

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