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Ligand · T3G

T3G · 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

T3G, 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one (C12 H14 F2 N2 O3 S, 304.3 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…

Component
T3G
Formula
C12 H14 F2 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

T3G in 2 structures; the first of them:

  • 5REP · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in… · T3G A404 · binds THR26, HIS41, ASN142, GLY143, SER144, CYS145
  • 5REP · Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in… · T3G A404 · binds THR26, HIS41, ASN142, GLY143, SER144, CYS145

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide

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