can anyone suggest me a database of natural products that can be used?
i tried downloading from zinc15 subset under the static download and also webpage but keeps on having problem and for the static download the files i downloaded cannot be opened dont know why.
super natural 2 database felt like an option but i dont know why i cant download from the filter all at once and i can only download 150+ ligands and 15 (per page)at a time then it wont let me download more.
I found COCONUT database which was interesting because it gathers from many resources unfortunately it is still in beta mode and the structure is "flat" which is not suitable for docking
if anyone have a solution to any of these problems or suggestion on database please share, i'm really stuck
You can take compounds from COCONUT database and then pass it through a software such as GypsumDL that can optimize the ligand structures.
Hi! You can try these databases:
1. NPASS ( http://bidd.group/NPASS/index.php ),
2. IMPPAT ( https://cb.imsc.res.in/imppat/home ),
3. TIPdb ( https://cwtung.kmu.edu.tw/tipdb/ ).
For 2D to 3D transformation, you can use open babel.
Hi. You can try the EXIMED Natural-Product-Based Library and Natural-Product-Like Library from the below link.
https://eximedlab.com/Screening-Compounds.html
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