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Ligand · H0L

H0L · (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl) methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

H0L, (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl) methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one (C24 H27 F2 N O3, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
H0L
Formula
C24 H27 F2 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

H0L in 2 structures; the first of them:

  • 7D9O · Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 · H0L A601 · binds TYR72, TRP86, GLY120, GLY121, TYR124, TYR133, GLU202, SER203 and 10 more
  • 7D9O · Crystal structure of recombinant human acetylcholinesterase in complex with compound 2 · H0L A601 · binds TYR72, TRP86, GLY120, GLY121, TYR124, TYR133, GLU202, SER203 and 10 more

Residues it binds most

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

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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