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Ligand · 4X1

4X1 · 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine

4X1, 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine (C12 H18 N2, 190.3 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 it binds most and…

Component
4X1
Formula
C12 H18 N2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4X1 in 2 structures; the first of them:

  • 5BZH · Crystal structure of the murine CD44 hyaluronan binding domain complex with a small… · 4X1 A202 · binds ASN29, VAL30, THR31, GLU41, GLY44, ARG82, VAL153, ASN154 and 1 more
  • 5BZH · Crystal structure of the murine CD44 hyaluronan binding domain complex with a small… · 4X1 A202 · binds ASN29, VAL30, THR31, GLU41, GLY44, ARG82, VAL153, ASN154 and 1 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide

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