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Ligand · 2KG

2KG · (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one

2KG, (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one (C19 H21 N O4 S, 359.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2KG
Formula
C19 H21 N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2KG in 2 structures; the first of them:

  • 4NMH · 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one · 2KG A301 · binds ILE121, THR124, LEU126, SER170, LEU171, ALA172, TYR177, VAL180 and 11 more
  • 4NMH · 11-beta-HSD1 in complex with a 3,3-di-methyl-azetidin-2-one · 2KG A301 · binds ILE121, THR124, LEU126, SER170, LEU171, ALA172, TYR177, VAL180 and 11 more

Residues it binds most

LEU 8, TYR 8, ALA 8, ILE 8, THR 8, GLY 8, SER 8, VAL 8, GLU 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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