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Ligand · 42L

42L · methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

42L, methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (C16 H20 F N O2, 277.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
42L
Formula
C16 H20 F N O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

42L in 1 structure; the first of them:

  • 8VBY · Structure of the human dopamine transporter in complex with beta-CFT, MRS7292 and… · 42L A701 · binds PHE76, ALA77, ASP79, ALA81, ASN82, SER149, VAL152, GLY153 and 7 more

Residues it binds most

ALA 1, GLY 1, PHE 1, SER 1, ASN 1, ASP 1, TYR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • A1AAF · methyl (1S,2R,3S,4R,5R)-4-{2-[(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate
  • D10 · Decane
  • D12 · Dodecane
  • HP6 · Heptane
  • LNK · Pentane
  • MYS · Pentadecane
  • Y01 · Cholesterol hemisuccinate
  • NA · Sodium ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • OCT · N-octane

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