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Ligand · 42R

42R · (3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one

42R, (3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one (C13 H14 Br N O2, 296.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
42R
Formula
C13 H14 Br N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

42R in 2 structures; the first of them:

  • 5AFJ · alpha7-AChBP in complex with lobeline and fragment 1 · 42R A1205 · binds LEU6, GLU9, LEU10, ASN13, TYR62, LEU63, GLN64, TRP65 and 4 more
  • 5AFJ · ALPHA7-achbp in complex with lobeline and fragment 1 · 42R A1205 · binds LEU6, GLU9, LEU10, ASN13, TYR62, LEU63, GLN64, TRP65 and 4 more

Residues it binds most

TYR 20, LEU 20, VAL 20, GLN 20, ILE 10, ASN 18, GLU 10, TRP 12, LYS 10, SER 10 (residue and the binding sites it lines).

Found with

  • L0B · Alpha-Lobeline
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GOL · Glycerol

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