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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gag-Pol polyprotein [489-587] | ||
| Ligand | BDBM50094901 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_159301 | ||
| IC50 | 13±n/a nM | ||
| Citation |  Lee, YS; Lee, YS; Lee, JY; Kim, SN; Lee, CK; Park, H 6-Hydroxy-1,3-dioxin-4-ones as non-peptidic HIV protease inhibitors. Bioorg Med Chem Lett10:2625-7 (2000) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Gag-Pol polyprotein [489-587] | |||
| Name: | Gag-Pol polyprotein [489-587] | ||
| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 10781.16 | ||
| Organism: | Human immunodeficiency virus type 1 | ||
| Description: | P04585[489-587] | ||
| Residue: | 99 | ||
| Sequence: |
| ||
| BDBM50094901 | |||
| n/a | |||
| Name | BDBM50094901 | ||
| Synonyms: | CHEMBL90449 | Pyridine-2-sulfonic acid {3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-4H-[1,3]dioxin-5-yl)-propyl]-phenyl}-amide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H32N2O6S | ||
| Mol. Mass. | 536.639 | ||
| SMILES | CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccccn3)c2)C(=O)O1 |(-.81,-7.29,;-.39,-5.81,;1.1,-5.42,;1.5,-3.93,;.01,-3.53,;-1.09,-4.6,;-2.57,-4.21,;-3.66,-5.3,;-5.13,-4.9,;-5.53,-3.39,;-4.43,-2.32,;-2.96,-2.71,;2.85,-4.7,;4.18,-3.93,;5.51,-4.7,;4.18,-2.4,;5.51,-1.62,;5.51,-.08,;6.84,.69,;6.84,-2.39,;6.87,-3.93,;8.2,-4.72,;9.53,-3.95,;9.55,-2.39,;10.88,-1.62,;12.21,-2.41,;11.44,-3.74,;13.56,-3.18,;12.98,-1.06,;12.21,.27,;12.96,1.63,;14.5,1.63,;15.29,.3,;14.54,-1.06,;8.2,-1.62,;2.83,-1.62,;2.83,-.08,;1.5,-2.39,)| | ||
| Structure | 
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