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Title | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. |
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Journal, issue, pages | J. Med. Chem., Vol. 65, Page 4949-4971, Year 2022 |
Publish date | Dec 19, 2021 (structure data deposition date) |
Authors | Naidu, B.N. / Patel, M. / McAuliffe, B. / Ding, B. / Cianci, C. / Simmermacher, J. / Jenkins, S. / Parker, D.D. / Sivaprakasam, P. / Khan, J.A. ...Naidu, B.N. / Patel, M. / McAuliffe, B. / Ding, B. / Cianci, C. / Simmermacher, J. / Jenkins, S. / Parker, D.D. / Sivaprakasam, P. / Khan, J.A. / Kish, K. / Lewis, H. / Hanumegowda, U. / Krystal, M. / Meanwell, N.A. / Kadow, J.F. |
External links | J. Med. Chem. / PubMed:35235334 |
Methods | X-ray diffraction |
Resolution | 1.95 - 2.53 Å |
Structure data | PDB-7t9h: PDB-7t9o: |
Chemicals | ChemComp-MG: ChemComp-GE7: ChemComp-HOH: ChemComp-SO4: ChemComp-GEI: ChemComp-GOL: |
Source |
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Keywords | DNA BINDING PROTEIN / Viral protein / DNA Integration / AIDS / RNASEH / LEDGF / ENDONUCLEASE / HIV-1 integrase |