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Ligand · 59S

59S · (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide

59S, (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide (C29 H42 N4 O6, 542.7 g/mol), in the MolNFT…

Component
59S
Formula
C29 H42 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

59S in 2 structures; the first of them:

  • 7WO3 · SARS-CoV-2 3CLpro · 59S A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
  • 7WO3 · SARS-cov-2 3CLPRO · 59S A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more

Residues it binds most

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

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