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TitleDiscovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 11118-11132, Year 2023
Publish dateSep 22, 2022 (structure data deposition date)
AuthorsWen, X. / Zhang, M. / Duan, Z. / Suo, Y. / Lu, W. / Jin, R. / Mu, B. / Li, K. / Zhang, X. / Meng, L. ...Wen, X. / Zhang, M. / Duan, Z. / Suo, Y. / Lu, W. / Jin, R. / Mu, B. / Li, K. / Zhang, X. / Meng, L. / Hong, Y. / Wang, X. / Hu, H. / Zhu, J. / Song, W. / Shen, A. / Lu, X.
External linksJ. Med. Chem. / PubMed:37552553
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-8gyd:
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-0IH:
(2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid

ChemComp-EOH:
ETHANOL

ChemComp-HOH:
WATER

Source
  • schistosoma japonicum (invertebrata)
KeywordsTRANSFERASE / Complex

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