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Ligand · 2WX

2WX · N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

2WX, N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (C24 H20 Cl N O4 S2, 486.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
2WX
Formula
C24 H20 Cl N O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2WX in 2 structures; the first of them:

  • 4PX3 · Human GKRP bound to AMG-3295 and Sorbitol-6-phosphate · 2WX A701 · binds HIS9, VAL10, ILE11, TYR24, ALA27, VAL28, PRO29, THR31 and 14 more
  • 4PX3 · Human gkrp bound to amg-3295 and sorbitol-6-phosphate · 2WX A701 · binds HIS9, VAL10, ILE11, TYR24, ALA27, VAL28, PRO29, THR31 and 14 more

Residues it binds most

ALA 4, ASN 4, VAL 4, LEU 4, ARG 4, ASP 4, GLN 4, GLU 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

  • S6P · D-sorbitol-6-phosphate
  • IOD · Iodide ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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