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Ligand · 3SX

3SX · N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide

3SX, N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide (C24 H33 N3 O3 S, 443.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
3SX
Formula
C24 H33 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3SX in 2 structures; the first of them:

  • 4WQP · Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist · 3SX A601 · binds CYS285, GLN286, LEU287, LEU292, TRP317, CYS320, HIS323, LEU324 and 18 more
  • 4WQP · Crystal structure of rorc in complex with a benzyl sulfonamide inverse agonist · 3SX A601 · binds CYS285, GLN286, LEU287, LEU292, TRP317, CYS320, HIS323, LEU324 and 18 more

Residues it binds most

LEU 4, PHE 4, ARG 4, ALA 4, CYS 4, HIS 4, ILE 4, GLN 4, MET 4, TRP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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