| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 protease |
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| Ligand | BDBM86657 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Fluorometric Assay |
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| Ki | 0.32±0.0 nM |
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| IC50 | 0.63±0.0 nM |
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| Citation |  Ziólkowska, NE; Bujacz, A; Randad, RS; Erickson, JW; Skálová, T; Hasek, J; Bujacz, G New active HIV-1 protease inhibitors derived from 3-hexanol: conformation study of the free inhibitors in crystalline state and in complex with the enzyme. Chem Biol Drug Des79:798-809 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| HIV-1 protease |
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| Name: | HIV-1 protease |
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| Synonyms: | HIV-1 protease wild type |
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| Type: | Protein |
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| Mol. Mass.: | 10757.68 |
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| Organism: | Human immunodeficiency virus |
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| Description: | O90785 |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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| BDBM86657 |
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| n/a |
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| Name | BDBM86657 |
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| Synonyms: | 3-Hexanol derivative, 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H36N2O6 |
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| Mol. Mass. | 532.6273 |
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| SMILES | Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r| |
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| Structure | 
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