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Ligand · 4XK

4XK · 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine

4XK, 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine (C17 H26 N2 O2, 290.4 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…

Component
4XK
Formula
C17 H26 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4XK in 2 structures; the first of them:

  • 5BZS · Crystal structure of the murine cd44 hyaluronan binding domain complex with a small… · 4XK A201 · binds ASN29, VAL30, THR31, GLU41, GLY44, CYS81, ARG82, VAL153 and 2 more
  • 5BZS · Crystal structure of the murine CD44 hyaluronan binding domain complex with a small… · 4XK A201 · binds ASN29, VAL30, THR31, GLU41, GLY44, CYS81, ARG82, VAL153 and 2 more

Residues it binds most

ARG 2, ASN 2, VAL 2, CYS 2, GLU 2, GLY 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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