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2022-06-02
相关数据集
GDB Databases
GDB数据库是由伯尔尼大学Reymond研究组维护的化学数据库。它通过系统枚举和生成式人工智能方法，收录了数十亿至数万亿个遵循化学稳定性与合成可行性规则的小有机分子。该数据库包含GDB-11、GDB-13、GDB-17和GDB-20等多个版本，是药物发现和虚拟筛选领域重要的公共化学空间资源。
知名数据库5130
KRASG12C GDP form in complex with Cpd3
KRASG12C GDP form in complex with Cpd3 Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... Authors: Mathieu, M, Steier, V. Deposit date: 2020-08-14 Release date: 2021-1
Protein Data Bank Japan2024-11-20 更新90
Identification of Selective Small Molecule Inhibitors of the Nucleotide-Binding Oligomerization Domain 1 (NOD1) Signaling Pathway
NOD1 is an intracellular pattern recognition receptor that recognizes diaminopimelic acid (DAP), a peptidoglycan component in gram negative bacteria. Upon ligand binding, NOD1 assembles with receptor-
Figshare2016-01-18 更新30
2023 Approved small-molecule drugs
From blogpost https://cdsouthan.blogspot.com/2024/01/patent-mapping-2023-drug-approvals.html
DataCite Commons2024-02-28 更新120
Characterization of RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling
The activation of the transcription factor NF-E2-related factor 2 (Nrf2) maintains cellular homeostasis in response to oxidative stress by the regulation of multiple cytoprotective genes. Without stre
NIAID Data Ecosystem50
