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Ligand · 7NS

7NS · [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid

7NS, [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid (C10 H13 B Br N O, 253.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
7NS
Formula
C10 H13 B Br N O
Class
ligand
Structures
3
PDB entries
2

Binding sites

7NS in 3 structures; the first of them:

  • 5TYN · alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid · 7NS A601 · binds GLY135, GLY136, GLY137, ILE139, ILE140, SER218, ALA219, TRP251 and 8 more
  • 5TYM · Alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl) PHENYL]BORINIC acid · 7NS A601 · binds GLY135, GLY136, GLY137, SER218, ALA219, TRP251, MET308, PHE309 and 3 more
  • 5TYN · Alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl) PHENYL]BORINIC acid · 7NS A601 · binds GLY135, GLY136, GLY137, SER218, ALA219, TRP251, MET308, PHE309 and 3 more

Residues it binds most

PHE 3, GLY 3, MET 3, ALA 3, HIS 3, SER 3, TRP 3, ILE 1, TYR 1 (residue and the binding sites it lines).

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