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Ligand · BS2

BS2 · (3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane

BS2, (3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane (C29 H32 N O +1, 410.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
BS2
Formula
C29 H32 N O +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

BS2 in 2 structures; the first of them:

  • 2W8G · Aplysia californica AChBP bound to in silico compound 35 · BS2 A1206 · binds TYR91, TRP145, VAL146, TYR186, CYS188, CYS189, TYR193, GLN36 and 6 more
  • 2W8G · Aplysia californica achbp bound to in silico compound 35 · BS2 A1206 · binds TYR91, TRP145, VAL146, TYR186, CYS188, CYS189, TYR193, GLN36 and 6 more

Residues it binds most

TYR 6, GLN 6, VAL 6, CYS 4, SER 6, ILE 6, MET 6, TRP 6, ASP 2 (residue and the binding sites it lines).

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