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Ligand · 120

120 · 2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1H-benzoimidazole-5-carboxamidine

120, 2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1H-benzoimidazole-5-carboxamidine (C13 H12 N5 O +1, 254.3 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…

Component
120
Formula
C13 H12 N5 O +1
Class
ligand
Structures
6
PDB entries
3

Binding sites

120 in 6 structures; the first of them:

  • 1GHV · A novel serine protease inhibition motif involving a multi-centered short hydrogen… · 120 H246 · binds HIS57, TRP60D, LYS60F, ASP189, ALA190, CYS191, GLU192, SER195 and 7 more
  • 1GHZ · A novel serine protease inhibition motif involving a multi-centered short hydrogen… · 120 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1GI7 · A novel serine protease inhibition motif involving a multi-centered short hydrogen… · 120 B246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 6 more
  • 1GHV · A novel serine protease inhibition motif involving a multi-centered short hydrogen… · 120 H246 · binds HIS57, TRP60D, LYS60F, ASP189, ALA190, CYS191, GLU192, SER195 and 7 more
  • 1GHZ · A novel serine protease inhibition motif involving a multi-centered short hydrogen… · 120 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1GI7 · A novel serine protease inhibition motif involving a multi-centered short hydrogen… · 120 B246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 6 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • CIT · Citric acid

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