Bioactive
Small Molecules
5662148
5662148 (click to show)
5662148 (click to hide)
Title:
Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis
Reference:
J Chem Inf Model. 2012 Mar 26;52(3):696-710. doi: 10.1021/ci2005516. Epub 2012 Feb 28.
Authors:
Falgun Shah, Jiri Gut, Jennifer Legac, Devleena Shivakumar, Woody Sherman, Philip J. Rosenthal, and Mitchell A. Avery
Compounds:
7895513 (
7895513
), 5217021 (
5217021
), 5662148 (
5662148
), 5683066 (
5683066
), 5920719 (
5920719
)
![5-amino-3-{2-[2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl]-1-cyanovinyl}-1-phenyl-1H-pyrazole-4-carbonitrile](/img/SC/566/5662148.jpeg "5-amino-3-{2-[2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl]-1-cyanovinyl}-1-phenyl-1H-pyrazole-4-carbonitrile")