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Ligand · GM5

GM5 · ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide

GM5, ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide (C16 H14 N4 O2 S, 326.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
GM5
Formula
C16 H14 N4 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

GM5 in 4 structures; the first of them:

  • 6HRQ · Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 · GM5 A504 · binds LYS20, HIS141, HIS142, GLY150, PHE151, ASP186, HIS188, PHE216 and 5 more
  • 6HSG · Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 · GM5 A504 · binds LYS20, HIS141, HIS142, GLY150, PHE151, ASP186, HIS188, PHE216 and 4 more
  • 6HRQ · Crystal structure of schistosoma mansoni HDAC8 complexed with ncc-149 · GM5 A504 · binds LYS20, HIS141, HIS142, GLY150, PHE151, ASP186, HIS188, PHE216 and 5 more
  • 6HSG · Crystal structure of schistosoma mansoni HDAC8 H292M mutant complexed with ncc-149 · GM5 A504 · binds LYS20, HIS141, HIS142, GLY150, PHE151, ASP186, HIS188, PHE216 and 4 more

Residues it binds most

HIS 16, ASP 16, GLY 16, PHE 16, TYR 16, LYS 12, MET 8, PRO 8, ARG 4 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • DMF · Dimethylformamide
  • GOL · Glycerol

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