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Ligand · 4XL

4XL · 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

4XL, 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine (C16 H25 N3 O, 275.4 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…

Component
4XL
Formula
C16 H25 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4XL in 2 structures; the first of them:

  • 5BZQ · Crystal structure of the murine cd44 hyaluronan binding domain complex with a small… · 4XL A201 · binds ASN29, VAL30, THR31, GLU41, CYS81, ARG82, VAL153, ASN154 and 1 more
  • 5BZQ · Crystal structure of the murine CD44 hyaluronan binding domain complex with a small… · 4XL A201 · binds ASN29, VAL30, THR31, GLU41, CYS81, ARG82, VAL153, ASN154 and 1 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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