Ligand · YMG

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

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 (C22 H39 N3 O8 S, 505.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

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

Binding sites

YMG in 2 structures; the first of them:

7LZX · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 1c · YMG A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more
7LZX · Structure of SARS-cov-2 3CL protease in complex with inhibitor 1C · YMG A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more

Residues it binds most

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

Found with

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
PG4 · Tetraethylene glycol

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