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. 2021 May 26;24:100246. doi: 10.1016/j.jctube.2021.100246

Table 3.

The P450 Site of Metabolism (SOM) prediction results of the best four ligands.

Drug identifier C22 C38 C21 C29
Names of P450 iso-enzymes 3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide Maritinone 3-Methyl-benzofuran-2-carboxylic acid pyridin-4-ylamide 5-(4-Ethyl-phenyl)-2-(1H-tetrazol-5-ylmethyl)-2H-tetrazole
1A2 graphic file with name fx1.gif graphic file with name fx2.gif graphic file with name fx3.gif graphic file with name fx4.gif
2A6 graphic file with name fx5.gif graphic file with name fx6.gif graphic file with name fx7.gif graphic file with name fx8.gif
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2C8 graphic file with name fx13.gif graphic file with name fx14.gif graphic file with name fx15.gif graphic file with name fx16.gif
2C9 graphic file with name fx17.gif graphic file with name fx18.gif graphic file with name fx19.gif graphic file with name fx20.gif
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2D6 graphic file with name fx25.gif graphic file with name fx26.gif graphic file with name fx27.gif graphic file with name fx28.gif
2E1 graphic file with name fx29.gif graphic file with name fx30.gif graphic file with name fx31.gif graphic file with name fx32.gif
3A4 graphic file with name fx33.gif graphic file with name fx34.gif graphic file with name fx35.gif graphic file with name fx36.gif
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