GL1X · GenesisL1 explorer

Ligand · 8U5

8U5 · E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide

8U5, E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide (C35 H46 Cl N3 O3, 592.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
8U5
Formula
C35 H46 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8U5 in 2 structures; the first of them:

  • 7AIW · Crystal structure of Torpedo Californica acetylcholinesterase in complex with… · 8U5 A601 · binds TYR70, ASP72, GLY80, TRP84, GLY117, GLY118, GLY119, TYR121 and 18 more
  • 7AIW · Crystal structure of torpedo californica acetylcholinesterase in complex with… · 8U5 A601 · binds TYR70, ASP72, TRP84, GLY118, GLY119, TYR121, GLU199, SER200 and 13 more

Residues it binds most

GLY 4, TYR 4, PHE 4, TRP 4, SER 4, ASP 4, ILE 4, HIS 4, LEU 4, MET 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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