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Ligand · 42F

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

42F, methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (C16 H20 I N O2, 385.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
42F
Formula
C16 H20 I N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

42F in 4 structures; the first of them:

  • 4XP5 · X-ray structure of Drosophila dopamine transporter bound to cocaine analogue-RTI55 · 42F A602 · binds PHE43, ALA44, ASP46, ALA117, VAL120, ASP121, TYR123, TYR124 and 9 more
  • 4XPF · X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M)… · 42F A703 · binds PHE43, ASP46, ALA117, VAL120, GLY121, TYR123, TYR124, ASN125 and 7 more
  • 4XP5 · X-ray structure of drosophila dopamine transporter bound to cocaine analogue-RTI55 · 42F A602 · binds PHE43, ALA44, ASP46, ALA117, VAL120, ASP121, TYR123, TYR124 and 9 more
  • 4XPF · X-ray structure of drosophila dopamine transporter with subsiteb mutations (D121G/S426M)… · 42F A703 · binds PHE43, ASP46, ALA117, VAL120, GLY121, TYR123, TYR124, ASN125 and 7 more

Residues it binds most

PHE 4, SER 4, GLY 4, ALA 4, TYR 4, ASP 4, VAL 4, ASN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane
  • NA · Sodium ion
  • CL · Chloride ion
  • GLC · alpha-D-glucopyranose
  • DMU · Decyl-beta-D-maltopyranoside

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