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Ligand · 972

972 · 2-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}-6-isobutoxybenzenolate

972, 2-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}-6-isobutoxybenzenolate (C18 H19 Cl N4 O2, 358.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
972
Formula
C18 H19 Cl N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

972 in 2 structures; the first of them:

  • 1O2P · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 972 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 11 more
  • 1O2P · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 972 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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