More cool zinc15 tricks: Difference between revisions
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A second way of asking the same question: | A second way of asking the same question: | ||
http://zinc15.docking.org/substances.smi:zinc_id,purchasability?features-contains=203&~features-contains=202&count=all | http://zinc15.docking.org/substances.smi:zinc_id,purchasability?features-contains=203&~features-contains=202&count=all | ||
primary amines, building blocks, for sale | |||
http://zinc15.docking.org:8015/substances.txt:smiles,sub_id,purchasability?substance.structure:contains=[ND1][CX4]&catalog.bb=True&substance.purchasability:gt=9&count=all | |||
purchasable class-F gpcr ligands: | |||
http://zinc15.docking.org:8015/activities.txt:substance.smiles,substance.sub_id,substance.purchasability?subclass.name:eq=GPCR-F&substance.purchasability:gt=9&count=all | |||
[[Category:Tutorials]] | [[Category:Tutorials]] | ||
[[Category:ZINC15]] | [[Category:ZINC15]] |
Revision as of 17:02, 8 July 2015
Here are questions you can ask. Ideally, work these into a tutorial of some kind:
Natural products = biogenic minus metabolites:
http://zinc15.docking.org/substances/subsets/biogenic.smi:zinc_id,purchasability?~features-contains=202&count=all
A second way of asking the same question:
http://zinc15.docking.org/substances.smi:zinc_id,purchasability?features-contains=203&~features-contains=202&count=all
primary amines, building blocks, for sale
http://zinc15.docking.org:8015/substances.txt:smiles,sub_id,purchasability?substance.structure:contains=[ND1][CX4]&catalog.bb=True&substance.purchasability:gt=9&count=all
purchasable class-F gpcr ligands:
http://zinc15.docking.org:8015/activities.txt:substance.smiles,substance.sub_id,substance.purchasability?subclass.name:eq=GPCR-F&substance.purchasability:gt=9&count=all