Mol2 file download for an individual compound?

Hello,

I've been docking the lead-like compounds for awhile now and have been cherry-picking the mol2 data for compounds that dock well with my protein and building a "hitlist.mol2" file to run against other potential conformations of my protein. Now I have some particular compounds that I would like to try docking with my protein and I found them through Pubchem, then taking the SMILES and finding the corresponding ZINC file. My question is.."Is it at all possible to download the mol2 data for an individually searched ZINC compound so that it may be subsequently docked?" I don't see any links (I thought they were there on the previous version, but don't remember for sure). Perhaps these can only be acquired through subsets?

Thanks so much

Dave

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Format and then Refresh

Hi Dave

In the results page, you select the format you want (e.g. SDF or mol2) and then click "refresh" to perform the action. We are going to make "refresh" change into "Download", but we didn't get that done yet.

Good docking

John

I plan to post a video about this on my youtube channel later day, http://youtube.com/user/chemistry4biology.

Here is the video: http://www.youtube.com/watch?v=0grHHgqZQmE

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