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Ligand · TT1

TT1 · 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole

TT1, 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole (C20 H16 Cl N3 S2, 397.9 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…

Component
TT1
Formula
C20 H16 Cl N3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TT1 in 2 structures; the first of them:

  • 2RKI · Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived… · TT1 A568 · binds PRO95, LEU100, LYS101, LYS103, LYS104, SER105, VAL106, VAL179 and 13 more
  • 2RKI · Crystal structure of HIV-1 reverse transcriptase (rt) in complex with a triazole derived… · TT1 A568 · binds PRO95, LEU100, LYS101, LYS103, LYS104, SER105, VAL106, VAL179 and 13 more

Residues it binds most

LYS 2, PRO 2, TYR 2, VAL 2, LEU 2, GLU 2, GLY 2, HIS 2, ILE 2, PHE 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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