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Ligand · A7T

A7T · (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

A7T, (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide (C35 H39 Cl2 N3 O3, 620.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
A7T
Formula
C35 H39 Cl2 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

A7T in 2 structures; the first of them:

  • 3G6Z · Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors · A7T A342 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 19 more
  • 3G6Z · Design and preparation of potent, non-peptidic, bioavailable renin inhibitors · A7T A342 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 19 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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