SMILES to CID mappings for the MMV Pathogen Box

NIAID Data Ecosystem2026-03-09 收录

抗病毒药物发现

化学标识符映射

数据链接：

https://figshare.com/articles/dataset/SMILES_to_CID_mappings_for_the_MMV_Pathogen_Box/3122170 数据链接链接失效反馈

官方服务：

资源简介：

MMV Pathogen Box SMILES to PubChem CID mapping (see blogpost in link)

创建时间：

2016-03-23

Fab RVFV-268

抗体相关结构解析

抗病毒药物发现

Fab RVFV-268 Descriptor: CITRIC ACID, Heavy chain Fab268, Light chain Fab268 Authors: Hulswit, R.J.G, Bowden, T.A, Stass, R. Deposit date: 2022-08-30 Release date: 2023-09-06 Last modified: 2026-03-04

Protein Data Bank Japan2026-03-04 更新50

PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554

结构生物学

抗病毒药物发现

PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554

NIAID Data Ecosystem40

Additional file 1 of Identifying FDA-approved drugs with multimodal properties against COVID-19 using a data-driven approach and a lung organoid model of SARS-CoV-2 entry

药物再利用筛选

抗病毒药物发现

Additional file 1: Table S1. Genes differentially expressed in lung cancer cells after exposure to SARS-CoV-2. Source: Blanco-Melo et al. (2020). Table S2. Connectivity mapping results generated by qu

Figshare2021-10-05 更新10

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558

新冠病毒靶点结构

抗病毒药物发现

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558

NIAID Data Ecosystem40

Table1_Identification of compelling inhibitors of human norovirus 3CL protease to combat gastroenteritis: A structure-based virtual screening and molecular dynamics study.docx

抗病毒药物发现

分子动力学模拟

Human noroviruses (NV) are the most prevalent cause of sporadic and pandemic acute gastroenteritis. NV infections cause substantial morbidity and death globally, especially amongst the aged, immunocom

NIAID Data Ecosystem30

SMILES to CID mappings for the MMV Pathogen Box

资源简介：

相关数据集