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Ligand · 8K4

8K4 · 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone

8K4, 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone (C22 H28 F N O2, 357.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
8K4
Formula
C22 H28 F N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8K4 in 2 structures; the first of them:

  • 5PGU · CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH… · 8K4 A302 · binds ILE121, THR124, SER125, LEU126, SER170, LEU171, ALA172, TYR177 and 9 more
  • 5PGU · Crystal structure of 11BETA-HSD1 double mutant (L262R, F278E) complexed with… · 8K4 A302 · binds THR124, SER125, LEU126, SER170, ALA172, TYR177, VAL180, TYR183 and 4 more

Residues it binds most

LEU 8, ALA 8, VAL 8, SER 8, TYR 8, THR 8, ILE 6, MET 5, GLY 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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