GL1X · GenesisL1 explorer

Ligand · QRH

QRH · (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide

QRH, (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide (C36 H38 N O3 P, 563.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
QRH
Formula
C36 H38 N O3 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

QRH in 4 structures; the first of them:

  • 6ZWE · Crystal structure of human acetylcholinesterase in complex with… · QRH A602 · binds TYR72, ASP74, LEU76, TRP86, GLY120, GLY121, GLY122, TYR124 and 16 more
  • 6ZWI · Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta… · QRH A604 · binds ASN68, ILE69, ASP70, GLY78, TRP82, GLY115, GLY116, GLY117 and 12 more
  • 6ZWE · Crystal structure of human acetylcholinesterase in complex with ((6… · QRH A602 · binds TYR72, ASP74, LEU76, TRP86, GLY121, TYR124, GLU202, SER203 and 12 more
  • 6ZWI · Human butyrylcholinesterase in complex with ((6-((2E,4E)-5… · QRH A604 · binds ASN68, ILE69, ASP70, TRP82, GLY115, GLY116, THR120, TYR128 and 9 more

Residues it binds most

TYR 4, GLY 4, PHE 4, TRP 4, GLU 4, SER 4, ASP 4, HIS 4, LEU 2, VAL 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BR · Bromide ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • LEA · Pentanoic acid
  • GAL · beta-D-galactopyranose
  • MAN · alpha-D-mannopyranose
  • SIA · N-acetyl-alpha-neuraminic acid
  • GOL · Glycerol

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