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Ligand · T6J

T6J · 2-[(methylsulfonyl)methyl]-1H-benzimidazole

T6J, 2-[(methylsulfonyl)methyl]-1H-benzimidazole (C9 H10 N2 O2 S, 210.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
T6J
Formula
C9 H10 N2 O2 S
Class
ligand
Structures
7
PDB entries
6

Binding sites

T6J in 7 structures; the first of them:

  • 5SKX · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with… · T6J D601 · binds GLY59, PHE60, LYS61, VAL199, LYS200, ILE201, PHE217, THR219 and 1 more
  • 5RFD · Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in… · T6J A404 · binds ASP33, ASP34, ALA94, ASN95, PRO96
  • 5RHJ · Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in… · T6J A705 · binds ARG242, TYR243, MET244, VAL250, HIS252, ARG269
  • 5RKA · Pandda analysis group deposition -- crystal structure of phip in complex with Z126932614 · T6J A1501 · binds PRO1340, VAL1345, TYR1350, SER1392, TYR1395, THR1396, PRO1397, SER1401 and 2 more
  • 5S2Z · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · T6J A401 · binds ASP22, GLY48, VAL49, ALA52, LYS55, PHE156
  • 5SBL · CD44 pandda analysis group deposition -- the hyaluronan-binding domain of CD44 in complex… · T6J A201 · binds ILE26, LYS42, ASN43, VAL148, ILE150, GLY164, GLU165, TYR166 and 1 more
  • 5SKX · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with… · T6J D601 · binds PHE60, LYS61, LYS200, ILE201, PHE217, THR219, TYR235

Residues it binds most

TYR 5, LYS 4, ILE 4, PHE 3, VAL 5, ARG 2, ASP 2, GLY 3, PRO 2, THR 3 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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