GL1X · GenesisL1 explorer

Ligand · EW9

EW9 · (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

EW9, (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C27 H46 N4 O10 S, 618.7 g/mol), in the MolNFT structures on GenesisL1…

Component
EW9
Formula
C27 H46 N4 O10 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EW9 in 2 structures; the first of them:

  • 7T45 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c · EW9 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
  • 7T45 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 7C · EW9 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more

Residues it binds most

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

Found with

  • PG4 · Tetraethylene glycol

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