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Ligand · 5R9

5R9 · 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline

5R9, 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (C16 H21 N3, 255.4 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 residues it binds most and the…

Component
5R9
Formula
C16 H21 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5R9 in 2 structures; the first of them:

  • 5EQP · Crystal structure of choline kinase alpha-1 bound by… · 5R9 A501 · binds ASP306, GLN308, TYR333, GLU349, TYR354, TRP420, TRP423, ILE433 and 3 more
  • 5EQP · Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4… · 5R9 A501 · binds ASP306, GLN308, TYR333, GLU349, TYR354, TRP420, TRP423, ILE433 and 3 more

Residues it binds most

TYR 4, TRP 4, ASP 4, GLN 4, GLU 4, ILE 4, PHE 4 (residue and the binding sites it lines).

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