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Ligand · LFI

LFI · 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one

LFI, 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one (C12 H18 Br3 N3 O3, 492.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5…

Component
LFI
Formula
C12 H18 Br3 N3 O3
Class
ligand
Structures
3
PDB entries
3

Binding sites

LFI in 3 structures; the first of them:

  • 8B9P · ACE2 in complex with bicyclic peptide inhibitor · LFI C101 · binds PHE40, SER47, TRP69, CYS2, ARG4, GLN5, PHE6, CYS7 and 5 more
  • 8BFW · The structures of Ace2 in complex with bicyclic peptide inhibitor · LFI B101 · binds TYR510, CYS1, ARG3, SER4, HIS5, CYS6, SER7, SER8 and 6 more
  • 8BN1 · The structures of Ace2 in complex with bicyclic peptide inhibitor · LFI C101 · binds TYR510, CYS1, ARG3, SER4, 4PH5, CYS6, LEU9, LEU10 and 2 more

Residues it binds most

CYS 6, SER 6, ARG 6, LEU 6, HIS 4, PHE 2, TYR 4, MET 2, 4PH 2, GLN 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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