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Ligand · 0MB

0MB · 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane

0MB, 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane (C13 H16 N4 S, 260.4 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
0MB
Formula
C13 H16 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0MB in 2 structures; the first of them:

  • 4AH9 · Parallel screening of a low molecular weight compound library: do differences in… · 0MB A218 · binds GLY106, ARG107, TRP108, PRO109, ILE204, ILE208, LYS211, TYR83 and 6 more
  • 4AH9 · Parallel screening of a low molecular weight compound library: do differences in… · 0MB A218 · binds GLY106, ARG107, TRP108, PRO109, ILE204, ILE208, LYS211, TYR83 and 6 more

Residues it binds most

ARG 4, GLY 4, ILE 4, ASN 4, GLU 4, HIS 4, PRO 4, TRP 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • TAM · Tris(hydroxyethyl)aminomethane
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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