ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 5138266

Parameters Provided:

name.synonym = 5'-S-isobutyl-5'-deoxyadenosine; 5'-S-isobutylthioadenosine; 5'-deoxy-5'-S-isobutyladenosine; 5'-deoxy-5'-S-isobutylthioadenosine; Adenosine, 5'-S-(2-methylpropyl)-5'-thio-; C14H21N5O3S; LS-174568; SIBA
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '5\'-S-isobutyl-5\'-deoxyadenosine; 5\'-S-isobutylthioadenosine; 5\'-deoxy-5\'-S-isobutyladenosine; 5\'-deoxy-5\'-S-isobutylthioadenosine; Adenosine, 5\'-S-(2-methylpropyl)-5\'-thio-; C14H21N5O3S; LS-174568; SIBA' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=5%27-S-isobutyl-5%27-deoxyadenosine%3B+5%27-S-isobutylthioadenosine%3B+5%27-deoxy-5%27-S-isobutyladenosine%3B+5%27-deoxy-5%27-S-isobutylthioadenosine%3B+Adenosine%2C+5%27-S-%282-methylpropyl%29-5%27-thio-%3B+C14H21N5O3S%3B+LS-174568%3B+SIBA&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "5\'-S-isobutyl-5\'-deoxyadenosine; 5\'-S-isobutylthioadenosine; 5\'-deoxy-5\'-S-isobutyladenosine; 5\'-deoxy-5\'-S-isobutylthioadenosine; Adenosine, 5\'-S-(2-methylpropyl)-5\'-thio-; C14H21N5O3S; LS-174568; SIBA" }); </script>