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Ligand · YN1

YN1 · (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

YN1, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C24 H43 N3 O8 S, 533.7 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
YN1
Formula
C24 H43 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YN1 in 2 structures; the first of them:

  • 7LZT · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8b · YN1 A403 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 7LZT · Structure of SARS-cov-2 3CL protease in complex with inhibitor 8B · YN1 A403 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more

Residues it binds most

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

Found with

  • YMY · (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
  • SO4 · Sulfate ion

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