GL1X · GenesisL1 explorer

Ligand · 8U2

8U2 · 2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide

8U2, 2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide (C32 H37 Cl N6 O3, 589.1 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
8U2
Formula
C32 H37 Cl N6 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

8U2 in 2 structures; the first of them:

  • 7AIX · Crystal structure of torpedo californica acetylcholinesterase in complex with… · 8U2 A601 · binds TYR70, GLN74, TRP84, GLY118, GLY119, TYR121, GLU199, SER200 and 15 more
  • 7AIY · Crystal structure of human butyrylcholinesterase in complex with 2-{1… · 8U2 A601 · binds ASN68, ASP70, TRP82, GLY116, GLY117, THR120, SER198, TRP231 and 7 more

Residues it binds most

GLY 2, PHE 2, TRP 2, TYR 2, SER 2, ALA 1, HIS 2, ILE 1, ASN 1, ASP 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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