GL1X · GenesisL1 explorer

Ligand · A6T

A6T · (1S,5R)-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

A6T, (1S,5R)-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
A6T
Formula
C33 H32 Cl3 F2 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A6T in 2 structures; the first of them:

  • 3G72 · Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors · A6T A343 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 20 more
  • 3G72 · Design and preparation of potent, non-peptidic, bioavailable renin inhibitors · A6T A343 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 20 more

Residues it binds most

VAL 4, ALA 4, ASP 4, GLY 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
  • DMS · Dimethyl sulfoxide

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