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Ligand · 4XJ

4XJ · 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine

4XJ, 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine (C14 H22 N2 O2, 250.3 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…

Component
4XJ
Formula
C14 H22 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4XJ in 2 structures; the first of them:

  • 5BZT · Crystal structure of the murine cd44 hyaluronan binding domain complex with a small… · 4XJ A203 · binds ASN29, VAL30, THR31, HIS39, GLU41, THR80, ARG82, VAL153 and 2 more
  • 5BZT · Crystal structure of the murine CD44 hyaluronan binding domain complex with a small… · 4XJ A203 · binds ASN29, VAL30, THR31, HIS39, GLU41, THR80, ARG82, VAL153 and 2 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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