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Ligand · BAI

BAI · (5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane

BAI, (5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane (C16 H14 N6, 290.3 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 residues it binds most…

Component
BAI
Formula
C16 H14 N6
Class
ligand
Structures
8
PDB entries
4

Binding sites

BAI in 8 structures; the first of them:

  • 1C1P · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI A246 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 8 more
  • 1C1Q · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more
  • 1C1R · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 1C1U · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI H410 · binds LEU41, CYS42, HIS57, TRP60D, LYS60F, ASP195, ALA196, CYS197 and 9 more
  • 1C1P · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI A246 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 8 more
  • 1C1Q · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more
  • 1C1R · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 1C1U · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAI H410 · binds LEU41, CYS42, HIS57, TRP60D, LYS60F, ASP195, ALA196, CYS197 and 9 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • NA · Sodium ion

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