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Ligand · S4L

S4L · (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

S4L, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C24 H35 N3 O8 S, 525.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
S4L
Formula
C24 H35 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S4L in 2 structures; the first of them:

  • 7TJ0 · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 · S4L A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
  • 7TJ0 · Crystal structure of SARS-cov-2 3CL in complex with inhibitor sl-4-241 · S4L A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more

Residues it binds most

HIS 2, MET 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2, LEU 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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