File:Chloroquine-ligand-CLQ-A-from-PDB-xtal-4FGL-Mercury-3D-spacefill.png

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Space-filling model of a chloroquine molecule, C18H26ClN3, as found bound to side chain A in the crystal structure of Reduced quinone reductase 2 in complex with chloroquine, reported in J. Biol. Chem. (2013) 288, 11242-11251 (PDB entry: 4FGL; PDB ligand entry: CLQ; PDBe ligand entry: CLQ).

The crystal structure of pure chloroquine has also been reported in Crystal Structure Communications (1973) 2, 283] (CSD Entry: CDMQUI) and adopts a similar conformation. Several methyl hydrogen atoms could not be located in this study.


Colour code:

Carbon, C: grey
Hydrogen, H: white
Nitrogen, N: blue
Chlorine, Cl: green
Model manipulated and image generated in CCDC Mercury 3.8.
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Author Ben Mills
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8 May 2020

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current12:32, 8 May 2020Thumbnail for version as of 12:32, 8 May 20202,000 × 1,994 (693 KB)Benjah-bmm27== {{int:filedesc}} == {{Information | Description = Space-filling model of a chloroquine molecule, C<sub>18</sub>H<sub>26</sub>ClN<sub>3</sub>, as found bound to side chain A in the crystal structure of Reduced quinone reductase 2 in complex with chloroquine, reported in [https://dx.doi.org/10.1074/jbc.M113.457002 ''J. Biol. Chem.'' (2013) '''288''', 11242-11251] (PDB entry: [ht...
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