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Ligand · MD4

MD4 · (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane

MD4, (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane (C16 H22 N5 +1, 284.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
MD4
Formula
C16 H22 N5 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

MD4 in 2 structures; the first of them:

  • 4WV9 · Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in… · MD4 A301 · binds TYR55, GLN57, MET116, ILE118, TYR93, SER146, TRP147, TYR188 and 1 more
  • 4WV9 · Crystal structure of acetylcholine binding protein (achbp) from aplysia californica in… · MD4 A301 · binds TYR55, GLN57, MET116, ILE118, TYR93, SER146, TRP147, TYR188 and 1 more

Residues it binds most

TYR 4, CYS 2, GLN 4, ILE 4, MET 4, SER 4, TRP 4 (residue and the binding sites it lines).

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