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Ligand · 6SS

6SS · (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl) methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one

6SS, (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl) methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one (C27 H26 Cl2 F N3 O2, 514.4 g/mol), in the MolNFT structures on…

Component
6SS
Formula
C27 H26 Cl2 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6SS in 2 structures; the first of them:

  • 5LAY · Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active… · 6SS A205 · binds LEU54, LEU57, GLY58, ILE61, MET62, TYR67, GLN72, PHE86 and 7 more
  • 5LAY · Discovery of new natural-product-inspired spiro-oxindole compounds as orally active… · 6SS A205 · binds LEU54, LEU57, GLY58, ILE61, MET62, TYR67, GLN72, PHE86 and 7 more

Residues it binds most

ILE 12, LEU 12, TYR 12, PHE 12, VAL 12, GLN 8, GLY 12, HIS 12, MET 12, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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