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Ligand · 1TH

1TH · 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione

1TH, 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione (C17 H16 F N3 S2, 345.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
1TH
Formula
C17 H16 F N3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1TH in 2 structures; the first of them:

  • 7OVF · Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8… · 1TH A306 · binds PHE62, TYR67, TRP87, HIS114, HIS116, ASP117, ASP118, HIS179 and 5 more
  • 7OVF · Crystal structure of the vim-2 acquired metallo-beta-lactamase in complex with compound 8… · 1TH A306 · binds PHE62, TYR67, TRP87, HIS114, HIS116, ASP117, ASP118, HIS179 and 4 more

Residues it binds most

HIS 2, ASP 2, ARG 2, ASN 2, CYS 2, PHE 2, TRP 2, TYR 2, GLY 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • ACT · Acetate ion

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