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Ligand · H1R

H1R · (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl) methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

H1R, (2S)-2-[[4-fluoranyl-1-[(3-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
H1R
Formula
C24 H27 F2 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

H1R in 2 structures; the first of them:

  • 7D9Q · Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 · H1R A601 · binds TYR72, TRP86, GLY120, GLY121, TYR124, TYR133, GLU202, TRP286 and 10 more
  • 7D9Q · Crystal structure of recombinant human acetylcholinesterase in complex with compound 7 · H1R A601 · binds TYR72, TRP86, GLY120, GLY121, TYR124, TYR133, GLU202, TRP286 and 9 more

Residues it binds most

TYR 4, GLY 4, PHE 4, TRP 4, SER 4, GLU 4, HIS 4, LEU 2, VAL 2, ASP 1 (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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