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1M Drug Fragment-Based Diversity Library

MCE 国际站：1M Drug Fragment-Based Diversity Library

A diversity compound library contains 1,000,000 compounds with drug fragments. Each compound has at least one drug fragment. These selected molecules have 702,902 Bemis-Murcko Scaffolds (BMS) with drug-like chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.

Description & Advantages:

•   Each selected compound contains a least one drug fragment. Each drug fragment are derived from 2946 FDA-approved drugs by BRICS and Recap algorithm and the simple fragment were removed.

•   1,000,000 drug-like compounds contain 702,902 unique BM scaffolds (Bemis-Murcko).

•   For each BM scaffold, 1 to 3 compounds with higher number of drug fragments were selected to occupy a broader ‘drug-like chemical space’.

•   Compounds passed all MedChem selection filters, particularly pan assay interference compound (PAINS) motifs, to remove any inappropriate chemical structures and avoid false hits.

品牌介绍:
•   MCE (MedChemExpress) 拥有200 多种全球独家化合物库，我们致力于为全球科研客户提供前沿最全的高品质小分子活性化合物；
•   50,000 多种高选择性抑制剂、激动剂涉及各热门信号通路及疾病领域；
•   产品种类涵盖各种重组蛋白，多肽，常用试剂盒 ，更有 PROTAC、ADC 等特色产品，广泛应用于新药研发、生命科学等科研项目；
•   提供虚拟筛选，离子通道筛选，代谢组学分析检测分析，药物筛选等专业技术服务；
•   设有专业的实验中心和严格的质控、验证体系；
•   提供 LC/MS、NMR、HPLC、手性分析、元素分析等各项质检报告，确保产品的高纯度、高品质；
•   产品的生物活性多经各国客户实验验证；
•   Nature, Cell, Science 等多种顶级期刊及制药专利收录了MCE客户的科研成果；
•   专业团队跟踪最新的制药及生命科学研究进展，为您提供全球最新的活性化合物；
•   与世界各大制药公司及知名科研机构建立了长期的合作。