ZINC26:Organization: Difference between revisions

From DISI
Jump to navigation Jump to search
m (→‎Bioactive: asdf)
(asdf)
Tag: Blanking
 
(5 intermediate revisions by the same user not shown)
Line 1: Line 1:
In interactive mode (magnifying glass) there are four top levels into which all databases are organized. 


* Bioactive - molecules with reported biological activity
* Purchasable - screening compounds you can buy
* Special - do not fit in other categories
* Synthons - reagents you can buy
The detailed breakdown of each of these is below.
== Bioactive ==
* drugbank
* food
* hmdb
* inVitro-01uM (ChEMBL36)
* inVitro-03uM (ChEMBL36)
* inVitro-10uM (ChEMBL36)
* inVitro-30uM (ChEMBL36)
* metabolites
* natural
* otherdrugs
* various
== Purchasable ==
* inStock-1 -  preferred sources for inStock screening compounds (SC)
** chemspace
** chembridge
** enamine
** mcule
** molport
** sial
* inStock-2 - Other vendors
** chemdiv
** many many others
* onDemand-1 - our preferred sources for onDemand SC
** Enamine M
** Enamine S
** OnePot
** xtalPi
** wuxi
* onDemand-2 - Other SC onDemand
** others
=== inStock-1 ===
=== inStock-2 ===
=== onDemand-1 ===
=== onDemand-2 ===
== Special ==
* Aggregators - so far only one "special" database, about 15,000 compounds. See advisor.docking.org
* Frontier - new libraries from Enamine and others
* Hartwig - current research
* Ellman - current research
* Commons - chemistry commons
* macrocycles - purchasable macrocycles
** Sept 2026 - 200M - peptidic - Enamine
== Synthons (Smallworld) ==
* inStock-1
** Chembridge BB
** Molport BB
** ChemSpace BB
** Enamine BB
* inStock-2
**
**
**
* onDemand
** FastMADE 120M
** MADE 1.9 B
** MADE_2h - deuterium enriched. 85K
== Synthons (Arthor) ==
* by_price category: USD: 50, 100, 250, 500, 1000, fastMADE, MADE
* by_role:  functional group, role in Chemistry commons
* by_name: by name.
** commons - chemistry commons
** covalent - covalent
** inStock
** onDemand
* within bioactive: inVitro (e.g. ChEMBL), inVivo (e.g. drugs), natural (natural products, metabolites)
Back to [[ZINC26:Help]]
[[Category:ZINC26]]

Latest revision as of 17:23, 2 October 2026

Retrieved from "http://wiki.docking.org/index.php?title=ZINC26:Organization&oldid=17614"