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Ligand · IM4

IM4 · (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine

IM4, (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (C9 H10 Cl N5 O2, 255.7 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
IM4
Formula
C9 H10 Cl N5 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

IM4 in 6 structures; the first of them:

  • 2ZJU · Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed… · IM4 A301 · binds TRP143, THR144, TYR185, CYS187, CYS188, TYR192, TRP53, GLN55 and 7 more
  • 3C79 · Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid… · IM4 A301 · binds TYR93, TRP147, VAL148, TYR188, SER189, CYS190, CYS191, TYR195 and 8 more
  • 3WTH · Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant… · IM4 A301 · binds TRP143, THR144, TYR185, CYS187, CYS188, TYR192, TRP53, ARG55 and 7 more
  • 2ZJU · Crystal structure of lymnaea stagnalis acetylcholine binding protein (ls-achbp) complexed… · IM4 A301 · binds TRP143, THR144, TYR185, CYS187, CYS188, TYR192, TRP53, GLN55 and 7 more
  • 3C79 · Crystal structure of aplysia californica achbp in complex with the neonicotinoid… · IM4 A301 · binds TYR93, TRP147, VAL148, TYR188, SER189, CYS190, CYS191, TYR195 and 8 more
  • 3WTH · Crystal structure of lymnaea stagnalis acetylcholine-binding protein Q55R mutant… · IM4 A301 · binds TRP143, THR144, TYR185, CYS187, CYS188, TYR192, TRP53, ARG55 and 7 more

Residues it binds most

TYR 28, CYS 28, TRP 28, LEU 20, ALA 28, ARG 20, MET 28, THR 20, GLN 18, ILE 8 (residue and the binding sites it lines).

Found with

  • IPA · Isopropyl alcohol

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