GL1X · GenesisL1 explorer

Ligand · IA4

IA4 · ~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine

IA4, ~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine (C20 H30 N2, 298.5 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 residues…

Component
IA4
Formula
C20 H30 N2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IA4 in 2 structures; the first of them:

  • 7BO3 · Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-met… · IA4 A610 · binds GLY78, TRP82, GLY117, SER198, TRP231, PRO285, LEU286, SER287 and 9 more
  • 7BO3 · Human butyrylcholinesterase in complex with N-(2-(1H-indol-3-yl)… · IA4 A610 · binds TRP82, GLY117, SER198, TRP231, PRO285, LEU286, SER287, VAL288 and 5 more

Residues it binds most

TRP 2, PHE 2, SER 2, GLY 2, TYR 2, HIS 2, LEU 2, PRO 2, VAL 2, ALA 1 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SIA · N-acetyl-alpha-neuraminic acid
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.