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Ligand · YMD

YMD · (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy) carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

YMD, (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy) carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C22 H39 N3 O8 S, 505.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
YMD
Formula
C22 H39 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YMD in 2 structures; the first of them:

  • 7LZX · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 1c · YMD A402 · binds HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163, HIS164 and 9 more
  • 7LZX · Structure of SARS-cov-2 3CL protease in complex with inhibitor 1C · YMD A402 · binds HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163, HIS164 and 9 more

Residues it binds most

HIS 4, LEU 4, MET 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, PHE 4 (residue and the binding sites it lines).

Found with

  • YMG · (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy) carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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