GL1X · GenesisL1 explorer

Ligand · EO6

EO6 · (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl) oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

EO6, (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl) oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C23 H37 N5 O8 S, 543.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
EO6
Formula
C23 H37 N5 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EO6 in 2 structures; the first of them:

  • 7T4A · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c · EO6 A502 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more
  • 7T4A · Structure of SARS-cov-2 3CL protease in complex with inhibitor 11C · EO6 A502 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 10 more

Residues it binds most

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

Found with

  • EQS · (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl) oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
  • PO4 · Phosphate ion
  • PG4 · Tetraethylene glycol

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