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Ligand · XU4

XU4 · N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide

XU4, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide (C22 H33 N3 O5, 419.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
XU4
Formula
C22 H33 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

XU4 in 2 structures; the first of them:

  • 7LCT · Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies &… · XU4 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
  • 7LCT · Improved feline drugs as SARS-cov-2 mpro inhibitors: structure- activity studies &… · XU4 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more

Residues it binds most

HIS 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2 (residue and the binding sites it lines).

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