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Ligand · R71

R71 · [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone

R71, [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone (C23 H27 Br F N O2, 448.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
R71
Formula
C23 H27 Br F N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

R71 in 4 structures; the first of them:

  • 1GSZ · Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic… · R71 A1630 · binds MET42, PHE129, TRP169, ALA170, THR173, ILE261, GLN262, PRO263 and 16 more
  • 1W6J · Structure of human OSC in complex with Ro 48-8071 · R71 A1733 · binds TYR98, TRP192, TRP230, HIS232, CYS233, VAL236, ILE338, GLY380 and 14 more
  • 1GSZ · Crystal structure of a squalene cyclase in complex with the potential anticholesteremic… · R71 A1630 · binds MET42, PHE129, TRP169, ALA170, THR173, ILE261, GLN262, PRO263 and 16 more
  • 1W6J · Structure of human osc in complex with ro 48-8071 · R71 A1733 · binds TYR98, TRP192, TRP230, HIS232, CYS233, VAL236, ILE338, GLY380 and 14 more

Residues it binds most

PHE 8, TRP 8, TYR 8, ASP 8, ALA 6, ILE 8, THR 8, VAL 8, LEU 6, MET 6 (residue and the binding sites it lines).

Found with

  • C14 · Tetradecane
  • BOG · octyl beta-D-glucopyranoside
  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane

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