| Structural highlights
3lak is a 2 chain structure with sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: | , ,
| | Related: | 3lal, 3lam, 3lan |
| Activity: | RNA-directed DNA polymerase, with EC number 2.7.7.49 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Evolutionary Conservation
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
A series of N1-heterocyclic pyrimidinediones were extensively evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). Inhibitor 1 is active against NNRTI-resistant viruses including RT mutant K103N. The co-crystal structure of inhibitor 1 with HIV-1 RT revealed that H-bonds are formed with K101 and K103. Efforts to improve the suboptimal pharmacokinetic profile of 1 resulted in the discovery of compound 13, which represents the lead compound in this series with improved pharmacokinetics and similar potency as inhibitor 1.
N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.,Mitchell ML, Son JC, Lee IY, Lee CK, Kim HS, Guo H, Wang J, Hayes J, Wang M, Paul A, Lansdon EB, Chen JM, Eisenberg G, Geleziunas R, Xu L, Kim CU Bioorg Med Chem Lett. 2010 Mar 1;20(5):1585-8. Epub 2010 Jan 21. PMID:20137928[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Mitchell ML, Son JC, Lee IY, Lee CK, Kim HS, Guo H, Wang J, Hayes J, Wang M, Paul A, Lansdon EB, Chen JM, Eisenberg G, Geleziunas R, Xu L, Kim CU. N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1585-8. Epub 2010 Jan 21. PMID:20137928 doi:10.1016/j.bmcl.2010.01.086
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