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Ligand · B95

B95 · N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide

B95, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide (C17 H16 Br N3 O2, 374.2 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, the residues it…

Component
B95
Formula
C17 H16 Br N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B95 in 2 structures; the first of them:

  • 3KKU · Cruzain in complex with a non-covalent ligand · B95 A216 · binds GLY23, CYS25, TRP26, SER64, GLY65, GLY66, LEU67, MET68 and 7 more
  • 3KKU · Cruzain in complex with a non-covalent ligand · B95 A216 · binds GLY23, CYS25, TRP26, SER64, GLY65, GLY66, LEU67, MET68 and 7 more

Residues it binds most

GLY 2, LEU 2, ALA 2, ASP 2, CYS 2, GLN 2, GLU 2, HIS 2, MET 2, SER 2 (residue and the binding sites it lines).

Found with

  • Z22 · S-methyl methanesulfonothioate
  • EDO · 1,2-ethanediol

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