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Ligand · 3F9

3F9 · N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide

3F9, N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide (C29 H34 N2 O2, 442.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
3F9
Formula
C29 H34 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3F9 in 2 structures; the first of them:

  • 4TPK · Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-y… · 3F9 A615 · binds ASN68, ILE69, ASP70, TRP82, GLY116, GLY117, THR120, GLU197 and 11 more
  • 4TPK · Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H… · 3F9 A615 · binds ASN68, ILE69, ASP70, TRP82, GLY116, GLY117, THR120, GLU197 and 11 more

Residues it binds most

GLY 4, PHE 4, TRP 4, SER 4, ALA 4, ASN 4, ASP 4, GLU 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • FUL · beta-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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