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Ligand · H56

H56 · (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl) azetidin-2-one

H56, (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl) azetidin-2-one (C24 H21 F2 N O3, 409.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every…

Component
H56
Formula
C24 H21 F2 N O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

H56 in 3 structures; the first of them:

  • 7DFZ · Cryo_EM structure of delta N-NPC1L1-EZE · H56 A1306 · binds VAL380, LEU382, TRP383, LEU621, ILE625, VAL697, ILE698, VAL701 and 13 more
  • 8AXW · The structure of mouse AsterC (GramD1c) with Ezetimibe · H56 A609 · binds MET353, ALA357, ARG360, ILE362, VAL365, MET382, TYR384, ILE386 and 10 more
  • 7DFZ · CRYO_EM structure of delta N-NPC1L1-eze · H56 A1306 · binds VAL380, LEU382, TRP383, LEU621, ILE625, ILE698, ALA768, LEU871 and 8 more

Residues it binds most

LEU 3, PHE 3, VAL 3, ILE 3, ALA 3, TYR 2, GLN 2, MET 1, THR 1, TRP 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EOH · Ethanol
  • GOL · Glycerol
  • PGE · Triethylene glycol

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