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Crystal structure of HCV NS3/4A protease in complex with compound 12

NIAID Data Ecosystem2026-05-01 收录

HCVNS3/4A蛋白酶结构

药物-靶点相互作用

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https://www.rcsb.org/structure/6NZV 数据链接链接失效反馈

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Crystal structure of HCV NS3/4A protease in complex with compound 12

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创建时间：

2023-10-11

药物-靶点相互作用

分子对接残基分析

Contact residues for the eight selected small molecules. All residues contain are within 4 Å of a ligand atom. Residues in bold are common to all six ligands.

Figshare2015-12-02 更新50

Drug-target affinity predictions data for evaluation of interaction concordance index

药物-靶点相互作用

药物发现

This record contains data for repeating the results presented in "Interaction Concordance Index: Performance Evaluation for Interaction Prediction Methods". It contains ground-truth drug–target affini

Zenodo2026-01-29 更新30

Crystal structure of HCV NS3/4A protease in complex with voxilaprevir

HCVNS3/4A蛋白酶结构

抗丙肝病毒药物设计

Crystal structure of HCV NS3/4A protease in complex with voxilaprevir Descriptor: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ... Authors: Appleby, T.C, Taylor, J.G. Deposit date: 2019-02-14 Relea

Protein Data Bank Japan2023-10-11 更新30

Naegleria fowleri CYP51-fluconazole complex

抗阿米巴药物

药物-靶点相互作用

Naegleria fowleri CYP51-fluconazole complex

NIAID Data Ecosystem30

additional data

药物-靶点相互作用

化学信息学

df.parquet.gzip is processed raw data. This has some genes but is not fully overwrapped with training/test data drug2actions.csv is processd data that has information about drugs' effectiveness. drug2

Zenodo2023-11-09 更新30

Crystal structure of HCV NS3/4A protease in complex with compound 12

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