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Ligand · R01

R01 · (4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone

R01, (4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone (C24 H22 Br N O, 420.3 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…

Component
R01
Formula
C24 H22 Br N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

R01 in 2 structures; the first of them:

  • 1H35 · Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme · R01 A800 · binds PHE129, TRP169, ILE261, PRO263, ALA306, SER307, TRP312, PHE365 and 12 more
  • 1H35 · Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme · R01 A800 · binds PHE129, TRP169, ILE261, PRO263, ALA306, SER307, TRP312, PHE365 and 12 more

Residues it binds most

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

Found with

  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane

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