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Ligand · 133

133 · 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine

133, 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine (C18 H19 F N4 O2, 342.4 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
133
Formula
C18 H19 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

133 in 2 structures; the first of them:

  • 1GJ8 · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 133 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1GJ8 · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 133 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 10 more

Residues it binds most

CYS 2, GLY 2, SER 2, VAL 2, ARG 2, ASP 2, GLN 2, HIS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CIT · Citric acid

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