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Ligand · B40

B40 · (2S)-N-methyl-1-phenylpropan-2-amine

B40, (2S)-N-methyl-1-phenylpropan-2-amine (C10 H15 N, 149.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
B40
Formula
C10 H15 N
Class
ligand
Structures
3
PDB entries
3

Binding sites

B40 in 3 structures; the first of them:

  • 8DE4 · Native serotonin transporter in complex with 15B8 Fab in the presence of methamphetamine · B40 A1004 · binds TYR132, ALA133, ASP135, ILE209, TYR213, PHE372, SER373, LEU374 and 6 more
  • 8W87 · Cryo-EM structure of the METH-TAAR1 complex · B40 R501 · binds ASP103, ILE104, SER107, SER108, VAL184, PHE186, THR194, SER198 and 5 more
  • 9JKQ · Cryo-EM structure of the METH-bound hTAAR1-Gs complex · B40 R401 · binds ASP103, ILE104, SER107, SER108, VAL184, PHE186, THR194, SER198 and 5 more

Residues it binds most

PHE 3, SER 3, ILE 3, TYR 3, ASP 3, THR 3, VAL 3, GLY 1, TRP 2, ALA 1 (residue and the binding sites it lines).

Found with

  • Y01 · Cholesterol hemisuccinate
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • LMT · Dodecyl-beta-D-maltoside

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