| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587,G537V,H558K,V571A] |
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| Ligand | BDBM84461 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibiton Activity Assay |
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| Ki | 13±0.5 nM |
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| IC50 | 24±1 nM |
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| Citation |  Brik, A; Muldoon, J; Lin, YC; Elder, JH; Goodsell, DS; Olson, AJ; Fokin, VV; Sharpless, KB; Wong, CH Rapid diversity-oriented synthesis in microtiter plates for in situ screening of HIV protease inhibitors. Chembiochem4:1246-8 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Gag-Pol polyprotein [489-587,G537V,H558K,V571A] |
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| Name: | Gag-Pol polyprotein [489-587,G537V,H558K,V571A] |
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| Synonyms: | HIV-1 protease | HIV-1 protease (G48V) | HIV-1 protease (V82A) | POL_HV1N5 | gag-pol |
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| Type: | Protein |
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| Mol. Mass.: | 10827.77 |
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| Organism: | Human immunodeficiency virus |
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| Description: | P12497[489-587,G537V,H558K,V571A] |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIVGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
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| BDBM84461 |
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| n/a |
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| Name | BDBM84461 |
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| Synonyms: | HIV-1 PR Inhibitor, compound 8 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H48N6O7S |
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| Mol. Mass. | 720.878 |
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| SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| |
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| Structure | 
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