GL1X · GenesisL1 explorer

Ligand · 8UH

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

8UH, 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide (C31 H36 Cl N3 O3, 534.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
8UH
Formula
C31 H36 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8UH in 2 structures; the first of them:

  • 7AIS · Crystal structure of Torpedo Californica acetylcholinesterase in complex with… · 8UH A601 · binds TYR70, ASP72, GLY80, TRP84, GLY117, GLY118, GLY119, TYR121 and 13 more
  • 7AIS · Crystal structure of torpedo californica acetylcholinesterase in complex with… · 8UH A601 · binds TYR70, ASP72, TRP84, GLY118, GLY119, TYR121, GLU199, SER200 and 9 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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