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Ligand · XR8

XR8 · 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl) ethyl]benzamide

XR8, 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl) ethyl]benzamide (C28 H34 N4 O S, 474.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
XR8
Formula
C28 H34 N4 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XR8 in 1 structure; the first of them:

  • 7LBS · SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-24 · XR8 A401 · binds LEU162, GLY163, ASP164, GLU167, PRO248, TYR264, GLY266, ASN267 and 4 more

Residues it binds most

TYR 2, GLY 2, ASP 2, GLN 2, GLU 2, LEU 2, PRO 2, THR 2, ASN 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BO3 · Boric acid
  • SO4 · Sulfate ion
  • GOL · Glycerol

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