[Zinc-fans] natual compounds - purchasing information

[John J. Irwin]

Hi Menachem

Thanks for your email. If you are referring to the ZINC Natural
Products, then please look under
http://zinc.docking.org/vendor0/index_meta.shtml
where you will find them.
The download page is here
http://zinc.docking.org/vendor0/npd/index.html
At the bottom is purchasing information
http://zinc.docking.org/vendor0/npd/npd_purch.xls
That file has too many rows to be loaded in Excel. However, if you load
it in a text editor you will find that

1266085 was available from IBScreen and Aurora

ZINC12660885    IBScreen    STOCK1N-29972    www.ibscreen.com
ZINC12660885    Aurora Feinchemie    kcd-761508   
www.aurora-feinchemie.com    office at aurora-feinchemie.com    +43 316 58
67 38   
http://www.aurora-feinchemie.com/search.php?mode=searchname&searchtext=kcd-761508
ZINC12660885    Aurora Feinchemie    kcb-503010

12660884 was available from the same two suppliers, as well as timtec:

ZINC12660884    IBScreen    STOCK1N-29972    www.ibscreen.com   
screen at ibscreen.chg.ru    +7 (095) 788 0651   
mailto:screen at ibscreen.chg.ru?SUBJECT=price and availability ofSTOCK1N-29972
ZINC12660884    ZINC natural products    ibs-STOCK1N-29972   
zinc.docking.org    info at docking.org    phone   
http://zinc.docking.orgibs-STOCK1N-29972
ZINC12660884    Aurora Feinchemie    kcd-761508   
www.aurora-feinchemie.com    office at aurora-feinchemie.com    +43 316 58
67 38   
http://www.aurora-feinchemie.com/search.php?mode=searchname&searchtext=kcd-761508
ZINC12660884    Aurora Feinchemie    kcb-503010   
www.aurora-feinchemie.com    office at aurora-feinchemie.com    +43 316 58
67 38   
http://www.aurora-feinchemie.com/search.php?mode=searchname&searchtext=kcb-503010
ZINC12660884    ZINC natural products    timtec-ST5223772   
zinc.docking.org    info at docking.org    phone   
http://zinc.docking.orgtimtec-ST5223772

One of these compounds 884 appears in ZINC as another number 19312821
</srchdb.pl?zinc=19312821> and 19312824 and </srchdb.pl?zinc=19312824>
</srchdb.pl?zinc=19312824>19312827 and </srchdb.pl?zinc=19312827>
</srchdb.pl?zinc=19312827>19312830. </srchdb.pl?zinc=19312830>

The other 885  has become 19312821 </srchdb.pl?zinc=19312821> and
19312824 </srchdb.pl?zinc=19312824> and 19312827
</srchdb.pl?zinc=19312827> and 19312830 </srchdb.pl?zinc=19312830>, i.e.
the same. 

My excuse in all of this was that the original molecules 884 and 885 had
incorrectly doubly protonated amines only two carbons apart, which is
very unlikely to say the least.  The new representations got created,
but failed to somehow connect with the historical compounds.  There
should have been a pointer from old to new which somehow did not get
created correctly.  I regret this mixup.  As always, if in doubt, ask,
and I'll do my best.

John

</srchdb.pl?zinc=19312827>
Menachem Shoham wrote:
> John,
>
> We are screening the natural compounds library and we are interested
> in the following two compounds:
>
> ZINC12660884
> ZINC12660885
>
> We cannot find any purchasing information on these compounds.
>
> Moreover, the natural compounds database seems to have disappeared
> from the menu of subsets.
>
> Thanks,
> Menachem Shoham
>
> Menachem Shoham, Ph.D.
>
> Case Western Reserve University
>
> School of Medicine, Department of Biochemistry
>
> 10900 Euclid Ave
>
> Cleveland, OH 44106-4935
>
> Tel. 216-368-4665
>
> Fax  216-368-3419
>
> E-mail: mxs10 at case.edu <mailto:mxs10 at case.edu>
>
> http://www.cwru.edu/med/biochemistry/faculty/shoham.html
>
>
>
>
>
> ------------------------------------------------------------------------
>
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> Zinc-fans at docking.org
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>   
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