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Ligand · 08S

08S · 3-chloro-6-fluoro-N-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide

08S, 3-chloro-6-fluoro-N-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide (C22 H20 Cl F N4 O3 S3, 539.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
08S
Formula
C22 H20 Cl F N4 O3 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

08S in 2 structures; the first of them:

  • 2XYW · Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome… · 08S A1441 · binds ILE213, LEU219, TRP228, SER242, VAL245, PHE246, ARG248, CYS249 and 16 more
  • 2XYW · Novel sulfonylthiadiazoles with an unusual binding mode as partial dual peroxisome… · 08S A1441 · binds ILE213, LEU219, TRP228, SER242, VAL245, PHE246, ARG248, CYS249 and 16 more

Residues it binds most

LEU 4, ILE 4, PHE 4, VAL 4, THR 4, ARG 4, CYS 4, HIS 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • BOG · octyl beta-D-glucopyranoside

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