GL1X · GenesisL1 explorer

Ligand · A5T

A5T · (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

A5T, (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide (C33 H32 Cl3 F2 N3 O2, 647.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
A5T
Formula
C33 H32 Cl3 F2 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A5T in 2 structures; the first of them:

  • 3G70 · Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors · A5T A342 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 21 more
  • 3G70 · Design and preparation of potent, non-peptidic, bioavailable renin inhibitors · A5T A342 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 21 more

Residues it binds most

VAL 4, ASP 4, GLY 4, ALA 4, LEU 4, PHE 4, PRO 4, SER 4, MET 4, GLN 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide

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