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Ligand · BR1

BR1 · (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol

BR1, (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol (C22 H25 Br N2 O2, 429.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
BR1
Formula
C22 H25 Br N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BR1 in 2 structures; the first of them:

  • 4J5P · Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor… · BR1 A601 · binds LYS142, SER190, MET191, PHE192, SER193, TYR194, SER217, THR236 and 19 more
  • 4J5P · Crystal structure of a covalently bound alpha-ketoheterocycle inhibitor… · BR1 A601 · binds LYS142, SER190, MET191, PHE192, SER193, TYR194, SER217, THR236 and 19 more

Residues it binds most

PHE 4, SER 4, GLY 4, LEU 4, MET 4, THR 4, VAL 4, ASP 4, CYS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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