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Ligand · I62

I62 · ~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide

I62, ~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide (C15 H22 N3 O3 +1, 292.4 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, the…

Component
I62
Formula
C15 H22 N3 O3 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

I62 in 2 structures; the first of them:

  • 7R02 · Mus musculus acetylcholinesterase in complex with… · I62 A601 · binds TYR72, ASP74, TYR124, GLU285, TRP286, ARG296, PHE297, SER298 and 4 more
  • 7R02 · Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)… · I62 A601 · binds TYR72, ASP74, TYR124, GLU285, TRP286, ARG296, PHE297, SER298 and 3 more

Residues it binds most

TYR 4, PHE 4, GLU 4, SER 4, TRP 4, ARG 3, ASP 3, HIS 2 (residue and the binding sites it lines).

Found with

  • 9YU · 2-[2-[2-[2-[2-[2-(2-methoxyethoxy) ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EDO · 1,2-ethanediol
  • PG0 · 2-(2-methoxyethoxy)ethanol

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