Ligand · SSQ

SSQ · 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

SSQ, 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one (C11 H7 Cl N4 O S, 278.7 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…

Component: SSQ
Formula: C11 H7 Cl N4 O S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

SSQ in 2 structures; the first of them:

7B3G · Notum complex with ARUK3003902 · SSQ A508 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 7 more
7B3G · Notum complex with ARUK3003902 · SSQ A508 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 7 more

Residues it binds most

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

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
SO4 · Sulfate ion
DMS · Dimethyl sulfoxide
EDO · 1,2-ethanediol

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