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Ligand · TH4

TH4 · {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

TH4, {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide (C10 H9 Cl N4 S, 252.7 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…

Component
TH4
Formula
C10 H9 Cl N4 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

TH4 in 6 structures; the first of them:

  • 3C84 · Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid… · TH4 A301 · binds TYR93, TRP147, VAL148, TYR188, SER189, CYS190, CYS191, TYR195 and 7 more
  • 3WTJ · Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with… · TH4 A301 · binds TYR89, SER142, TRP143, THR144, VAL183, THR184, TYR185, CYS187 and 8 more
  • 3WTK · Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant… · TH4 A301 · binds TRP53, ARG55, LEU102, ALA103, ARG104, LEU112, TYR113, MET114 and 6 more
  • 3C84 · Crystal structure of a complex of achbp from aplysia californica and the neonicotinoid… · TH4 A301 · binds TYR93, TRP147, VAL148, TYR188, SER189, CYS190, CYS191, TYR195 and 7 more
  • 3WTJ · Crystal structure of lymnaea stagnalis acetylcholine binding protein complexed with… · TH4 A301 · binds TYR89, SER142, TRP143, THR144, VAL183, THR184, TYR185, CYS187 and 8 more
  • 3WTK · Crystal structure of lymnaea stagnalis acetylcholine-binding protein Q55R mutant… · TH4 A301 · binds TRP53, ARG55, LEU102, ALA103, ARG104, LEU112, TYR113, MET114 and 6 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • IPA · Isopropyl alcohol

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