How to link to ZINC: Difference between revisions
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This is how to link to ZINC from other websites. | This is how to link to ZINC from other websites. | ||
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= By ZINC ID = | = By ZINC ID = | ||
Revision as of 01:39, 9 March 2012
How to link to ZINC.
This is how to link to ZINC from other websites.
By ZINC ID
For example, to link to 16610261, use the URL
By SMILES
- http://zinc.docking.org/results/structure?structure.similarity=1.0&structure.smiles=<URL-encoded-smiles>
For example, to link to benzene, c1ccccc1, use the URL
Some molecules require URL encoding if they use =, (, ) @, [, ], +, #, \, *, ., ,
The translation is as follows: @ = %40, \ = %5c, [ = %5b, ] = %5d, # = %23, ( = %28, ) = %29, * = %2a, + = %2b, , = %2c
These are all standard hexadecimal encoding of characters that have special meaning in a URL and must be encoded to be transmitted to ZINC.
By InChI
We currently do not support InChI, but we are working on it.
By CAS #
- http://zinc.docking.org/cas/<casnumber>
For example, benzene, with CAS number 71-43-2, can be looked up as follows:
To get benzene in SMILES format, use http://zinc.docking.org/cas/71-43-2.smi
By Vendor / Vendor code
By Name
For example, to find Delta-9-THC, use: http://zinc.docking.org/synonym/delta-9-thc
To get this molecule in SDF format, use: http://zinc.docking.org/synonym/delta-9-thc.sdf
By Ring
In progress, coming soon. Format will be
http://zinc.docking.org/find/ring:indole
- in progress *
By Target
http://zinc.docking.org/results/combination?filter.purchasability=purchasable&annotation.name=HCN2_MOUSE
By SwissProt
By UniProt