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Ligand · TT3

TT3 · 2-(3-fluorophenoxy)-N,N-dimethylacetamide

TT3, 2-(3-fluorophenoxy)-N,N-dimethylacetamide (C10 H12 F N O2, 197.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
TT3
Formula
C10 H12 F N O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

TT3 in 3 structures; the first of them:

  • 7GON · PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in… · TT3 B201 · binds ARG19, THR20, GLU21, ILE46, ILE47, TYR48
  • 7H2L · PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in… · TT3 B203 · binds HIS51, ASP129, TYR130, PRO131, ALA132, SER135, TYR150, GLY151 and 3 more
  • 7H75 · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · TT3 C208 · binds THR111, GLY112, GLY117, LYS118, ASP119, ASP145, TRP148

Residues it binds most

GLY 2, TYR 2, ASP 2, ILE 1, THR 2, ALA 1, ARG 1, GLU 1, HIS 1, LYS 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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