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Ligand · TZ8

TZ8 · (2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

TZ8, (2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid (C17 H30 N4 O6 S2, 450.6 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
TZ8
Formula
C17 H30 N4 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TZ8 in 2 structures; the first of them:

  • 7BIB · Crystal structure of human GSTA1-1 bound to the glutathione adduct of hexyl-isothiocyanate · TZ8 A301 · binds TYR9, PHE10, GLY14, ARG15, ARG45, GLN54, VAL55, PRO56 and 7 more
  • 7BIB · Crystal structure of human GSTA1-1 bound to the glutathione adduct of hexyl-isothiocyanate · TZ8 A301 · binds TYR9, PHE10, ARG15, ARG45, GLN54, VAL55, GLN67, THR68 and 3 more

Residues it binds most

ARG 4, GLN 4, VAL 4, PHE 4, ASP 4, THR 4, TYR 4, PRO 3, LEU 1, ALA 1 (residue and the binding sites it lines).

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