Resources: Difference between revisions

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| subclasses ||asdf asdf || 44 || asdfasfd sadf
| subclasses ||asdf asdf || 44 || asdfasfd sadf
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| organisms ||asdf asdf || 5 || asdfasfd sadf
| organisms ||asdf asdf || 5 ||a) List of supported organisms [http://zinc15.docking.org/organisms.txt]<br />b) not supported<br />c) not supported
|-
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| tools ||asdf asdf || 10,000 || Reserved for future use
| tools ||asdf asdf || 10,000 || a) List of tool compounds [http://zinc15.docking.org/tools/]<br />b) Tool compound number 100 [http://zinc15.docking.org/tools1]<br />c) Tool compounds for GPCR-A targets [http://zinc15.docking.org/tools/subsets/gpcra/]
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| ecfp4s  || lala || 100,000,000 || fingerprints
| ecfp4s  || lala || 100,000,000 ||a) List of fingerprints [http://zinc15.docking.org/ecfp4s/]<br />b) Fingerprint for ZINC53 [http://zinc15.docking.org/ecfp4s/53/]<br />c) Fingerprints for all ligands for MR [http://zinc15.docking.org/ecfp4s/genes/MR]
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| predictions || SEA predictions || 1 billion || sea
| predictions || SEA predictions || 1 billion || a) List of predictions [http://zinc15.docking.org/predictions]<br />b) Prediction #1 [http://zinc15.docking.org/predictions/1]<br />c) Predictions for ADRB2 [http://zinc15.docking.org/predictions/genes/DRD2]
|-
|-
| atccodes || atc codes || 1500 || atccodes
| atccodes || atc codes || 1500 || a) List of ATC codes [http://zinc15.docking.org/atccodes/]<br />b) ATC code L01A (cancer) [http://zinc15.docking.org/atccodes/L01A/]<br />c) something goes here...
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| generelations || gene_relations || 250,000 || gene_relations
| generelations || gene_relations || 250,000 || a) List of gene-gene relations [http://zinc15.docking.org/generelations/]<br />b) Gene relation #1 [http://zinc15.docking.org/generelations/1]<br />c) Gene relations for gene OPRK [http://zinc15.docking.org/generelations/OPRK]
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| observations || obs || 280,000 || obs
| observations || obs || 280,000 || a) List of observations [http://zinc15.docking.org/observations/]<br />b) Something goes here<br />c) Something goes here too.
|}
|}



Revision as of 22:39, 6 July 2015

A resource is the type of thing you are asking for (substance, catalog, gene, etc). Resources are written as plurals in the URL, indicating that the result is always a selection from among them. Each ZINC URL may specify only one resource. The URL syntax here covers both the web pages and the API. We currently support the following resources:

Resource Is a set of Approximate
Number
Example use of this resource when the answer to your question is:
a) a list of these things
b) one of these things, or
c) things derived from a single one of these things.
substances molecules 200,000,000 a) purchasable compounds [1]
b) ZINC ID 53 [2]
c) All genes hit by compound ZINC597013 [3]
catalogs vendor and annotated catalogs 400 a) catalogs whose members are biogenic (but see also endogenous, metabolite) [4]
b) The ChEMBL20 catalog [5]
c) Items in the DrugBank FDA catalogs [6] Interestingly, this shows clearly when a DrugBank ID has been expanded into multiple ZINC IDs.
genes UniProt Gene Symbols 2800 a) All Class A GPCR genes [7]
b) The BTK gene [8]
c) SEA Predicted ligands for 5-HT2A [9]
catitems What they are called in the source catalog 1 billion a) All molecules where the original supplier code begins with B1234 [10]
b) N.B. There is no unique key for supplier codes, so you cannot necessairily select one.
The purpose of the catitem code allows you to write queries that originate in another catalog
Items in the HMDB database, where the catalog code starts with HMDB1 and the gene it is active against starts with ADR. [11]
Compounds sold by Frontier, beginning with B123 and containing a pyridine ring. [12]
protomers 3D representations 6 million and growing a) Molecules with a charge of minus 2 at pH 7.4. [13]
b) One individual representation in 3D SDF format [14]
c) Catalogs that this molecule can be found in [15]
targets UniProt accession codes 3800 a) Information about targets by uniprot code in ZINC as a text file [16]
b) Information about the FTO_HUMAN gene. [17]
c) Substances annotated to bind FTO_HUMAN [18]
activities Observed 220,000 a) Individual data points of compound-target associations [19]
b) The individual activites are not exposed in a way you can see.
c) All activities better than 1 nM [20]
clusterreps Cluster representatives 3900 about chemical diversity of ligands for genes
clusters Clustered compounds by gene 220,000 about compounds for genes organized by chemotype.
majorclasses asdf asdf 15 asdfasfd sadf
subclasses asdf asdf 44 asdfasfd sadf
organisms asdf asdf 5 a) List of supported organisms [21]
b) not supported
c) not supported
tools asdf asdf 10,000 a) List of tool compounds [22]
b) Tool compound number 100 [23]
c) Tool compounds for GPCR-A targets [24]
ecfp4s lala 100,000,000 a) List of fingerprints [25]
b) Fingerprint for ZINC53 [26]
c) Fingerprints for all ligands for MR [27]
predictions SEA predictions 1 billion a) List of predictions [28]
b) Prediction #1 [29]
c) Predictions for ADRB2 [30]
atccodes atc codes 1500 a) List of ATC codes [31]
b) ATC code L01A (cancer) [32]
c) something goes here...
generelations gene_relations 250,000 a) List of gene-gene relations [33]
b) Gene relation #1 [34]
c) Gene relations for gene OPRK [35]
observations obs 280,000 a) List of observations [36]
b) Something goes here
c) Something goes here too.

Historical note: In ZINC 12, the reference-table was always substances, and thus the result of any query was always a set of molecules. A few reports such as vendor and target listings were available via the webpages, but were not supported by the API. This is a substantial change that appeared first in ZINC 15.