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Ligand · BFX

BFX · 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide

BFX, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide (C31 H31 Br Cl F N2 O2, 598.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
BFX
Formula
C31 H31 Br Cl F N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BFX in 2 structures; the first of them:

  • 3K1W · New Classes of Potent and Bioavailable Human Renin Inhibitors · BFX A342 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 18 more
  • 3K1W · New classes of potent and bioavailable human renin inhibitors · BFX A342 · binds THR18, GLN19, VAL36, ASP38, GLY40, SER41, TRP45, VAL46 and 18 more

Residues it binds most

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

Found with

  • HSQ · 2-acetylamino-2-deoxy-alpha-L-idopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • FMT · Formic acid

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