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Ligand · 130

130 · 2-(2-hydroxy-biphenyl)-1H-benzoimidazole-5-carboxamidine

130, 2-(2-hydroxy-biphenyl)-1H-benzoimidazole-5-carboxamidine (C20 H16 N4 O, 328.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
130
Formula
C20 H16 N4 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

130 in 6 structures; the first of them:

  • 1GJ5 · Selectivity at S1, H2O displacement, upa, tpa, SER190/ALA190 protease, structure-based… · 130 H410 · binds LEU41, CYS42, HIS57, CYS58, TYR60A, TRP60D, LYS60F, ASP189 and 11 more
  • 1GJB · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 130 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP60A, ASP189, SER190, CYS191 and 10 more
  • 1GJC · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 130 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 9 more
  • 1GJ5 · Selectivity at S1, H2O displacement, upa, tpa, SER190/ALA190 protease, structure-based… · 130 H410 · binds LEU41, CYS42, HIS57, CYS58, TYR60A, TRP60D, LYS60F, ASP189 and 11 more
  • 1GJB · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 130 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP60A, ASP189, SER190, CYS191 and 10 more
  • 1GJC · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 130 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 9 more

Residues it binds most

CYS 6, GLY 6, SER 6, VAL 6, ASP 6, TRP 6, HIS 6, GLN 4, ALA 2, GLU 2 (residue and the binding sites it lines).

Found with

  • CIT · Citric acid
  • NA · Sodium ion

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