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Ligand · S8H

S8H · (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid

S8H, (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid (C13 H23 N3 O6 S, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
S8H
Formula
C13 H23 N3 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S8H in 2 structures; the first of them:

  • 7AX6 · Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester · S8H A401 · binds ASP33, PRO99, LYS100, TYR101, LYS102, CYS156, VAL157
  • 7AX6 · Structure of SARS-cov-2 main protease bound to glutathione isopropyl ester · S8H A401 · binds ASP33, PRO99, LYS100, TYR101, LYS102, CYS156, VAL157

Residues it binds most

LYS 2, ASP 2, CYS 2, PRO 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • IMD · Imidazole

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