{"id":253,"date":"2020-04-08T12:24:02","date_gmt":"2020-04-08T10:24:02","guid":{"rendered":"https:\/\/covid.si\/?p=253"},"modified":"2020-04-22T22:00:35","modified_gmt":"2020-04-22T20:00:35","slug":"libraries-of-compounds-used-in-covid-si-project","status":"publish","type":"post","link":"https:\/\/covid.si\/en\/libraries-of-compounds-used-in-covid-si-project\/","title":{"rendered":"Libraries of Compounds used in COVID.si project"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"253\" class=\"elementor elementor-253\" data-elementor-post-type=\"post\">\n\t\t\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-top-section elementor-element elementor-element-41747968 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"41747968\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-7d067d4a\" data-id=\"7d067d4a\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7aacf1e6 elementor-widget elementor-widget-text-editor\" data-id=\"7aacf1e6\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p><!-- wp:paragraph --><\/p>\n<p>Our database contains more than 10.4 million compounds and is still growing. Despite it containing quite a large number of compounds we are screening only a tiny proportion of all chemical space which contains more than 10<sup>80<\/sup> compounds. We have compiled the following libraries of compounds that are ready for virtual screening.<\/p>\n<p><!-- \/wp:paragraph --><\/p>\n<p><!-- wp:paragraph --><\/p>\n<p><!-- \/wp:paragraph --><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-4734123 elementor-widget elementor-widget-spacer\" data-id=\"4734123\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-top-section elementor-element elementor-element-8b0071c elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8b0071c\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-3d7b1e8\" data-id=\"3d7b1e8\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-13030c1 elementor-widget elementor-widget-heading\" data-id=\"13030c1\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<h4 class=\"elementor-heading-title elementor-size-default\"><a href=\"https:\/\/www.accessdata.fda.gov\/scripts\/cder\/daf\/\" style=\"color: royalblue; white-space: normal;\"><span style=\"font-weight: bolder;\">Library of FDA approved drugs<\/span><\/a><span style=\"color: rgb(89, 89, 89); white-space: normal;\">&nbsp;and drugs in clinical tests<\/span><\/h4>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-4470f5e elementor-widget elementor-widget-text-editor\" data-id=\"4470f5e\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p>8700 compounds divided into small packages containing 100 compounds. This library can be used for the <strong>drug repurposing<\/strong> projects.\u00a0 The structures were cleaned and prepared for screening with Openbabel software.<\/p>\n<p>SIZE OF PACKAGE: 100<\/p>\n<p>LOCATION OF PACKAGES: 1 -87<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-inner-section elementor-element elementor-element-38fa4ec elementor-section-full_width elementor-section-content-middle elementor-section-height-default elementor-section-height-default\" data-id=\"38fa4ec\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-extended\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-109ff8a\" data-id=\"109ff8a\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-1cee1ba\" data-id=\"1cee1ba\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-8722e18\" data-id=\"8722e18\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-top-section elementor-element elementor-element-30399e9 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"30399e9\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-93307dc\" data-id=\"93307dc\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-ca1ed87 elementor-widget elementor-widget-heading\" data-id=\"ca1ed87\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<h4 class=\"elementor-heading-title elementor-size-default\"><span style=\"font-weight: bolder; color: rgb(89, 89, 89); white-space: normal;\"><a href=\"http:\/\/chemotheca.unicz.it\/index.php\">Mu.Ta.Lig. Virtual Chemotheca<\/a><\/span><span style=\"color: rgb(89, 89, 89); font-size: 16px; white-space: normal;\"><br>&nbsp;- A library developed during&nbsp;<\/span><span style=\"font-weight: bolder; color: rgb(89, 89, 89); font-size: 16px; white-space: normal;\"><a href=\"http:\/\/www.mutalig.eu\/\">Mu.Ta.Lig<\/a><\/span><span style=\"color: rgb(89, 89, 89); font-size: 16px; white-space: normal;\">&nbsp;Cost action.<\/span><\/h4>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-03707d7 elementor-widget elementor-widget-text-editor\" data-id=\"03707d7\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p><i>\u201cFor each lead compound developed in medicinal chemistry research, several other inactive or less active molecules are synthesized\/isolated and tested. \u00a0These chemical entities are useful for deriving structure-activity relationships concerning the original target, but their development and application stop, in the best cases, in a scientific manuscript and they are forgotten in some storage area. Inactive or poorly active compounds could live a second life by testing them for other targets.\u201d<\/i><\/p>\n<p>This library contains more than <strong>65000 compounds<\/strong>. Selected molecules from the library can be acquired directly from their owners who are free to take accord as they like, without intermediation by <strong><a href=\"http:\/\/www.mutalig.eu\/\">Mu.Ta.Lig Virtual Chemotheca<\/a><\/strong> management.<\/p>\n<p>SIZE OF PACKAGE: 1000<\/p>\n<p>LOCATION OF PACKAGES: 1300-1365<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-inner-section elementor-element elementor-element-bc2bc34 elementor-section-full_width elementor-section-content-middle elementor-section-height-default elementor-section-height-default\" data-id=\"bc2bc34\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-extended\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-8a2a6f6\" data-id=\"8a2a6f6\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-df00451\" data-id=\"df00451\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-943a0cc\" data-id=\"943a0cc\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-top-section elementor-element elementor-element-da2eac1 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"da2eac1\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-5147691\" data-id=\"5147691\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e43e8e7 elementor-widget elementor-widget-heading\" data-id=\"e43e8e7\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<h4 class=\"elementor-heading-title elementor-size-default\"><span style=\"font-weight: bolder; color: rgb(89, 89, 89); white-space: normal;\"><a href=\"https:\/\/enamine.net\/hit-finding\/diversity-libraries\/hit-locator-library-300\">Hit Locator Library from Enamine<\/a><\/span><span style=\"color: rgb(89, 89, 89); font-size: 16px; white-space: normal;\"><br> - A sizable, highly diverse screening set of more than 300 000 compounds.<\/span><\/h4>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-5fe5bbb elementor-widget elementor-widget-text-editor\" data-id=\"5fe5bbb\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<ul>\n<li style=\"list-style-type: none;\">\n<ul>\n<li>Over 25% of the compounds from HLL were synthesized within the last four years, providing a competitive advantage to access the latest compounds in primary screening campaigns.<\/li>\n<li><a href=\"https:\/\/enamine.net\/hit-finding\/compound-collections\/screening-collection\/hts-collection\">HTS<\/a> at Enamine allows immediate access the entire HLL with a low-cost, access-only fee, including hit confirmation from fresh powders and broad possibilities for express hit expansion either from stock or from the <a href=\"https:\/\/enamine.net\/library-synthesis\/real-compounds\/real-database\">REAL database<\/a>.<\/li>\n<li>The Core Set of Hit Locator Library contains 300 115 compounds and is available for prompt supply in convenient pre-plated formats.<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>SIZE OF PACKAGE: 1000<\/p>\n<p>LOCATION OF PACKAGES: 1400-1700<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-inner-section elementor-element elementor-element-fe31803 elementor-section-full_width elementor-section-content-middle elementor-section-height-default elementor-section-height-default\" data-id=\"fe31803\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-extended\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-1df383f\" data-id=\"1df383f\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-dc3dffa\" data-id=\"dc3dffa\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-ed8e11e\" data-id=\"ed8e11e\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section data-particle_enable=\"false\" data-particle-mobile-disabled=\"false\" class=\"elementor-section elementor-top-section elementor-element elementor-element-3a56036 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"3a56036\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-bc9a35a\" data-id=\"bc9a35a\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-467070d elementor-widget elementor-widget-heading\" data-id=\"467070d\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<h4 class=\"elementor-heading-title elementor-size-default\"><span style=\"font-weight: bolder; color: rgb(89, 89, 89); white-space: normal;\">10M unique purchasable compounds<\/span><\/h4>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-6f3e8ee elementor-widget elementor-widget-text-editor\" data-id=\"6f3e8ee\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p>SIZE OF PACKAGE: 1000<\/p>\n<p>LOCATION OF PACKAGES: 4000-14000<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>Our database contains more than 10.4 million compounds and is still growing. Despite it containing quite a large number of [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v22.5 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Libraries of Compounds used in COVID.si project - COVID.SI<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/covid.si\/en\/libraries-of-compounds-used-in-covid-si-project\/\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Libraries of Compounds used in COVID.si project - COVID.SI\" \/>\n<meta property=\"og:description\" content=\"Our database contains more than 10.4 million compounds and is still growing. 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