B5R5IQ1D64 (BioDeep_00000845083)
代谢物信息卡片
化学式: C24H32N4O6 (472.2321732)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
InChI: InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
描述信息
COVID info from PDB, Protein Data Bank
Corona-virus
Coronavirus
SARS-CoV-2
COVID-19
SARS-CoV
COVID19
SARS2
SARS
同义名列表
1 个代谢物同义名
数据库引用编号
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
0 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
- J Reina, C Iglesias. [Nirmatrelvir plus ritonavir (Paxlovid) a potent SARS-CoV-2 3CLpro protease inhibitor combination].
Revista espanola de quimioterapia : publicacion oficial de la Sociedad Espanola de Quimioterapia.
2022 Jun; 35(3):236-240. doi:
10.37201/req/002.2022. [PMID: 35183067] - Emmanuel Heilmann, Francesco Costacurta, Stephan Geley, Seyad Arad Mogadashi, Andre Volland, Bernhard Rupp, Reuben Stewart Harris, Dorothee von Laer. A VSV-based assay quantifies coronavirus Mpro/3CLpro/Nsp5 main protease activity and chemical inhibition.
Communications biology.
2022 04; 5(1):391. doi:
10.1038/s42003-022-03277-0. [PMID: 35478219] - Rolando Cannalire, Carmen Cerchia, Andrea R Beccari, Francesco Saverio Di Leva, Vincenzo Summa. Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities.
Journal of medicinal chemistry.
2022 02; 65(4):2716-2746. doi:
10.1021/acs.jmedchem.0c01140. [PMID: 33186044] - Britton Boras, Rhys M Jones, Brandon J Anson, Dan Arenson, Lisa Aschenbrenner, Malina A Bakowski, Nathan Beutler, Joseph Binder, Emily Chen, Heather Eng, Holly Hammond, Jennifer Hammond, Robert E Haupt, Robert Hoffman, Eugene P Kadar, Rob Kania, Emi Kimoto, Melanie G Kirkpatrick, Lorraine Lanyon, Emma K Lendy, Jonathan R Lillis, James Logue, Suman A Luthra, Chunlong Ma, Stephen W Mason, Marisa E McGrath, Stephen Noell, R Scott Obach, Matthew N O' Brien, Rebecca O'Connor, Kevin Ogilvie, Dafydd Owen, Martin Pettersson, Matthew R Reese, Thomas F Rogers, Romel Rosales, Michelle I Rossulek, Jean G Sathish, Norimitsu Shirai, Claire Steppan, Martyn Ticehurst, Lawrence W Updyke, Stuart Weston, Yuao Zhu, Kris M White, Adolfo García-Sastre, Jun Wang, Arnab K Chatterjee, Andrew D Mesecar, Matthew B Frieman, Annaliesa S Anderson, Charlotte Allerton. Preclinical characterization of an intravenous coronavirus 3CL protease inhibitor for the potential treatment of COVID19.
Nature communications.
2021 10; 12(1):6055. doi:
10.1038/s41467-021-26239-2. [PMID: 34663813] - Subramanyam Vankadara, Yun Xuan Wong, Boping Liu, Yi Yang See, Li Hong Tan, Qian Wen Tan, Gang Wang, Ratna Karuna, Xue Guo, Shu Ting Tan, Jia Yi Fong, Joma Joy, C S Brian Chia. A head-to-head comparison of the inhibitory activities of 15 peptidomimetic SARS-CoV-2 3CLpro inhibitors.
Bioorganic & medicinal chemistry letters.
2021 09; 48(?):128263. doi:
10.1016/j.bmcl.2021.128263. [PMID: 34271072] - Elie Dolgin. The race for antiviral drugs to beat COVID - and the next pandemic.
Nature.
2021 04; 592(7854):340-343. doi:
10.1038/d41586-021-00958-4. [PMID: 33854246] - Mohammad Hassan Baig, Tanuj Sharma, Irfan Ahmad, Mohammed Abohashrh, Mohammad Mahtab Alam, Jae-June Dong. Is PF-00835231 a Pan-SARS-CoV-2 Mpro Inhibitor? A Comparative Study.
Molecules (Basel, Switzerland).
2021 Mar; 26(6):. doi:
10.3390/molecules26061678. [PMID: 33802860] - Robert L Hoffman, Robert S Kania, Mary A Brothers, Jay F Davies, Rose A Ferre, Ketan S Gajiwala, Mingying He, Robert J Hogan, Kirk Kozminski, Lilian Y Li, Jonathan W Lockner, Jihong Lou, Michelle T Marra, Lennert J Mitchell, Brion W Murray, James A Nieman, Stephen Noell, Simon P Planken, Thomas Rowe, Kevin Ryan, George J Smith, James E Solowiej, Claire M Steppan, Barbara Taggart. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
Journal of medicinal chemistry.
2020 11; 63(21):12725-12747. doi:
10.1021/acs.jmedchem.0c01063. [PMID: 33054210]