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Ligand · 132

132 · 6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-carboxamidine

132, 6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-carboxamidine (C21 H17 Cl N3 O +1, 362.8 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
132
Formula
C21 H17 Cl N3 O +1
Class
ligand
Structures
8
PDB entries
4

Binding sites

132 in 8 structures; the first of them:

  • 1GJ4 · Selectivity at S1, H2O displacement, upa, tpa, SER190/ALA190 protease, structure-based… · 132 H410 · binds LEU41, CYS42, HIS57, CYS58, TRP60D, LYS60F, ASP189, ALA190 and 11 more
  • 1GJ6 · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 132 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1GJ7 · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 132 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 12 more
  • 1O5E · Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an… · 132 H256 · binds LEU41, CYS42, HIS57, CYS58, ASP189, ALA190, CYS191, GLN192 and 10 more
  • 1GJ4 · Selectivity at S1, H2O displacement, upa, tpa, SER190/ALA190 protease, structure-based… · 132 H410 · binds LEU41, CYS42, HIS57, CYS58, TRP60D, LYS60F, ASP189, ALA190 and 11 more
  • 1GJ6 · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 132 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1GJ7 · Engineering inhibitors highly selective for the S1 sites of SER190 trypsin-like serine… · 132 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 12 more
  • 1O5E · Dissecting and designing inhibitor selectivity determinants at the S1 site using an… · 132 H256 · binds LEU41, CYS42, HIS57, CYS58, ASP189, ALA190, CYS191, GLN192 and 10 more

Residues it binds most

CYS 8, GLY 8, SER 8, VAL 8, TRP 8, ASP 8, HIS 8, GLN 6, ALA 4, LEU 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • CIT · Citric acid

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