GL1X · GenesisL1 explorer

Ligand · 6IB

6IB · 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino) ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine

6IB, 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino) ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine (C32 H45 N3 O3, 519.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6…

Component
6IB
Formula
C32 H45 N3 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

6IB in 6 structures; the first of them:

  • 7VDH · Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state2 · 6IB R402 · binds LEU25, GLU164, CYS168, PHE170, ASP184, TRP243, LEU247, TRP248 and 4 more
  • 7VV5 · Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state1 · 6IB R402 · binds LEU22, LEU25, GLU164, CYS168, PHE170, ASP176, SER177, CYS180 and 7 more
  • 7VV6 · Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local) · 6IB R402 · binds GLN20, LEU22, GLU164, CYS168, SER177, ASP184, TRP243, LEU247 and 2 more
  • 7VDH · Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, STATE2 · 6IB R402 · binds LEU25, GLU164, ASP184, TRP243, LEU247, TRP248, SER253, ASP254 and 1 more
  • 7VV5 · Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, STATE1 · 6IB R402 · binds LEU22, GLU164, CYS168, SER177, ASP184, TRP243, LEU247, TRP248 and 1 more
  • 7VV6 · Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local) · 6IB R402 · binds GLN20, LEU22, GLU164, CYS168, SER177, ASP184, TRP243, LEU247 and 2 more

Residues it binds most

LEU 6, TRP 6, ASP 6, SER 6, CYS 5, GLU 6, PHE 3, GLN 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol

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