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Markush structure for 19,25
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2015-05-15
相关数据集
Structure–Activity Relationship of para-Carborane Selective Estrogen Receptor β Agonists
Selective agonism of the estrogen receptor (ER) subtypes, ERα and ERβ, has historically been difficult to achieve due to the high degree of ligand-binding domain structural similarity. Multiple effort
Figshare2021-06-28 更新10
Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and Trypanosoma cruzi Cruzain
Gallinamide A, originally isolated with a modest antimalarial activity, was subsequently reisolated and characterized as a potent, selective, and irreversible inhibitor of the human cysteine protease
NIAID Data Ecosystem10
Replication Data for: Exploring the Selectivity of Cytochrome P450 for Enhanced Novel Anticancer Agent Synthesis
This dataset contains files essential for replicating molecular dynamics simulations of a CYP450 enzyme with its substrate. There are four distinct poses included in the dataset. For each pose, there
data.europa2024-01-10 更新00
Hydrogen Bond-Induced Binding between Organofluorine and Protein via Fluorine Atoms: A Database Survey and Quantum Chemistry Calculation Study
Fluorination is common in drug design and may significantly enhance bioactivity, although the underlying mechanism is not elucidated. We noticed a coexisting interaction pattern, viz., F···H and F···O
Figshare2025-07-03 更新10
