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Ligand · R17

R17 · Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine

R17, Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine (C22 H22 Br N O2, 412.3 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
R17
Formula
C22 H22 Br N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

R17 in 2 structures; the first of them:

  • 1O6Q · Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme · R17 A800 · binds PHE129, TRP169, ILE261, PRO263, ALA306, SER307, TRP312, PHE365 and 11 more
  • 1O6Q · Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme · R17 A800 · binds PHE129, TRP169, ILE261, PRO263, ALA306, SER307, TRP312, PHE365 and 11 more

Residues it binds most

PHE 6, ASP 6, TRP 6, TYR 6, ALA 6, ILE 6, PRO 6, SER 6 (residue and the binding sites it lines).

Found with

  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane

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