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Ligand · KMY

KMY · 3-chlorobenzothiophene-2-carbohydroxamic acid

KMY, 3-chlorobenzothiophene-2-carbohydroxamic acid (C9 H6 Cl N O2 S, 227.7 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 residues it binds most and…

Component
KMY
Formula
C9 H6 Cl N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KMY in 2 structures; the first of them:

  • 4BZ9 · Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075 · KMY A700 · binds LYS20, PHE21, ASP100, HIS141, HIS142, GLY150, PHE151, ASP186 and 5 more
  • 4BZ9 · Crystal structure of schistosoma mansoni HDAC8 complexed with J1075 · KMY A700 · binds LYS20, PHE21, ASP100, HIS141, HIS142, GLY150, PHE151, ASP186 and 5 more

Residues it binds most

ASP 8, HIS 8, PHE 8, VAL 8, GLY 8, LYS 16, GLU 8, LEU 8, PRO 8, TYR 8 (residue and the binding sites it lines).

Found with

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

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