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Ligand · EQS

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

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 (C23 H37 N5 O8 S, 543.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

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

Binding sites

EQS in 2 structures; the first of them:

  • 7T4A · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c · EQS A501 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more
  • 7T4A · Structure of SARS-cov-2 3CL protease in complex with inhibitor 11C · EQS A501 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 11 more

Residues it binds most

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

Found with

  • 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
  • PO4 · Phosphate ion
  • PG4 · Tetraethylene glycol

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