GL1X · GenesisL1 explorer

Ligand · O0Z

O0Z · (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide

O0Z, (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide (C30 H42 N4 O, 474.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
O0Z
Formula
C30 H42 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

O0Z in 2 structures; the first of them:

  • 6XTA · Recombinant human butyrylcholinesterase in complex with… · O0Z A612 · binds ASP70, TRP82, GLY115, GLY116, GLY117, GLN119, GLU197, SER198 and 14 more
  • 6XTA · Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1… · O0Z A612 · binds ASP70, TRP82, GLY115, GLY116, GLY117, GLN119, GLU197, SER198 and 14 more

Residues it binds most

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

Found with

  • TGY · 1-deoxy-alpha-D-tagatopyranose
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion

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