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Ligand · SSW

SSW · 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4, 3-b]pyridazin-3(2H)-one

SSW, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4, 3-b]pyridazin-3(2H)-one (C12 H7 F3 N4 O2 S, 328.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
SSW
Formula
C12 H7 F3 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

SSW in 2 structures; the first of them:

  • 7B3H · Notum complex with ARUK3003909 · SSW A507 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 8 more
  • 7B3H · Notum complex with ARUK3003909 · SSW A507 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 8 more

Residues it binds most

PHE 2, ALA 2, GLY 2, THR 2, VAL 2, ILE 2, PRO 2, SER 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

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

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