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Ligand · 8DH

8DH · N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide

8DH, N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide (C8 H17 N3 O3 S, 235.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
8DH
Formula
C8 H17 N3 O3 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

8DH in 3 structures; the first of them:

  • 5SC1 · CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex… · 8DH A201 · binds ARG33, PHE38, PHE60, ASN61, ASN125, VAL137, ASP139, PRO141
  • 7HGO · PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex… · 8DH B103 · binds ASP30, GLY31, MET15, TYR18, TRP21, PHE44, THR47, GLU49 and 2 more
  • 5SC1 · CD44 pandda analysis group deposition -- the hyaluronan-binding domain of CD44 in complex… · 8DH A201 · binds ARG33, PHE38, PHE60, ASN61, ASN125, VAL137, ASP139, PRO141

Residues it binds most

PHE 3, ASN 2, ASP 3, ARG 2, PRO 2, THR 1, VAL 2, ALA 1, GLU 1, GLY 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion

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