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Ligand · R79

R79 · N-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-N-methylprop-2-en-1-amine

R79, N-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-N-methylprop-2-en-1-amine (C23 H27 Br N2 O S, 459.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
R79
Formula
C23 H27 Br N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

R79 in 2 structures; the first of them:

  • 1H3C · Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme · R79 A800 · binds PHE129, TRP169, ALA170, THR173, ILE261, PRO263, SER307, TRP312 and 14 more
  • 1H3C · Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme · R79 A800 · binds PHE129, TRP169, ALA170, THR173, ILE261, PRO263, SER307, TRP312 and 14 more

Residues it binds most

PHE 6, ASP 6, TRP 6, ALA 6, TYR 6, LEU 6, GLU 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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