Blogs

DOCK Blaster fixed

Dear DOCK Blaster Fans

DOCK Blaster has been broken for over a week due to my carelessness. It has now been fixed. Please accept my regrets, and my promise to try to do better going forward.

For those of you who alerted me to this, thank you! And sorry to be so slow!

John

Drug, in man and building block libraries updated

Dear ZINC fans

We have updated a few other special libraries:

96. Zdd - ZINC Drug database - approved drugs you can buy as pure compounds - http://zinc.docking.org/subsets/zdd
104. Zim - ZINC in man database - compounds you can buy that have been in man - http://zinc.docking.org/subsets/zim
109. Znd - ZINC natural derivatives - chemical modifications of natural products. http://zinc.docking.org/subsets/znd

100. Zbb-now - building blocks for immediate delivery - http://zinc.docking.org/subsets/zbb-now

Biogenic libraries updated

Dear ZINC fans and natural products fans

We have updated the ZINC biogenic libraries, and have created some new subsets. Where?
1. Subsets->Properties and then clicking on the Special tab: http://zinc.docking.org/browse/subsets/special
2. Individual biogenic product catalogs by going to Subset->Catalog and clicking on the NP tab: http://zinc.docking.org/browse/catalogs/natural-products

We have updated subsets:
98. Zbc - ZINC purchasable biogenic compounds (formerly Znp, ZINC natural products) and
97. Zmd - ZINC purchasable (primary) metabolites database

Purchasable Bioactive Compound libraries updated

Dear ZINC Fans and fans of bioactive compounds

We have updated the purchasable bioactive compound libraries. These are intersections of annotated catalogs with purchasable chemical space. Thus for instance, take the BitterDB library of taste and smell molecules. How many of these can be bought, somewhere on the planet? You can find out in ZINC. And you can download them and dock them or screen them using some other technology. How many nutraceuticals can you buy as pure compounds for research? ZINC knows.

old stale vendors removed

Dear ZINC Fans

As you know, we spend a lot of time trying to make sure you can buy the compounds in ZINC*. As the number of catalogs climbs towards 300, a number of catalogs were obviously stale. We wrote to the support email on the website, often multiple times. Finally, when we did not get an answer, we just removed the entire catalog from ZINC. Unfortunately, this included Tocris. Yeah, I know, can you believe it? But I couldn't get them to send me a database update, and the last info I had dated from 2005!

Recent catalog updates

Dear ZINC fans

We have added 2 new catalogs: Edasa and Kaironkem. Welcome!

We have added a new annotated catalogs: ChEMBL-15. We will retain ChEMBL-14 until ChEMBL-16 appears, and delete ChEMBL-13 and previous versions later this month.

We updated 10 building block catalogs: IndofineNP, PbmrBB, ChemDivBB, BePharmBB, InnovaBB, SpecsBB, ChemBlockBB, ArkBB, SynergyBB, AronisBB.

We updated 3 catalogs: Enamine, Biosynth and Alfa (Aesar).

and 6 make-on-demand catalogs: innovabb-v, otavabb-v, uorsybb-v, enaminebb-v, enamine-v, aronisbb-v.

docking.org (and ZINC) back

The website came back on last night, but we were too distracted to tell you. Now you know.

docking.org maintenance going on

Dear ZINC (and other) users:

We are doing some maintenance over what we thought was a quiet weekend. ZINC is currently down (rebuilding indexes, don't ask!).

Thank you for your patience.

We can see that some people were using ZINC, and we've gone and interrupted your work! Sorry for the lack of warning!

John

yet more news, new subset, Feb 1, 2013 [Corrected]

We have updated a number of subsets during January:

Fragment like, Shards, Shards-now, leads-now, drugs-now, Everything, clean-fragments, all-purchasable, all-clean.

More were updated in December, and more will be released in February. For the latest details see http://zinc.docking.org/browse/subsets/ and http://zinc.docking.org/browse/subsets/standard.

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