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Ligand · A87

A87 · 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol

A87, 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol (C23 H36 N2 O, 356.6 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 it…

Component
A87
Formula
C23 H36 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

A87 in 2 structures; the first of them:

  • 7BO4 · Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H… · A87 A604 · binds ASP70, GLY78, TRP82, GLY116, GLY117, THR120, SER198, PRO285 and 8 more
  • 7BO4 · Human butyrylcholinesterase in complex with 3-(2-(BUTYL(2… · A87 A604 · binds TRP82, GLY116, GLY117, THR120, SER198, PRO285, ALA328, TYR332 and 3 more

Residues it binds most

GLY 2, TRP 2, PHE 2, SER 2, ALA 2, HIS 2, PRO 2, THR 2, TYR 2, ASP 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
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • MOH · Methanol

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