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Ligand · U1M

U1M · 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

U1M, 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one (C14 H20 N2 O3 S, 296.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
U1M
Formula
C14 H20 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U1M in 2 structures; the first of them:

  • 5RGP · PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal… · U1M A404 · binds THR24, THR25, THR26, LEU27, HIS41, ASN142, GLY143, SER144 and 2 more
  • 5RGP · Pandda analysis group deposition SARS-cov-2 main protease fragment screen -- crystal… · U1M A404 · binds THR24, THR25, THR26, LEU27, HIS41, ASN142, GLY143, SER144 and 2 more

Residues it binds most

THR 2, HIS 2, ASN 2, CYS 2, GLY 2, LEU 2, SER 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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