| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM9292 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158031 (CHEMBL768622) |
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| IC50 | 5.4±n/a nM |
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| Citation |  Holloway, MK; Wai, JM; Halgren, TA; Fitzgerald, PM; Vacca, JP; Dorsey, BD; Levin, RB; Thompson, WJ; Chen, LJ; deSolms, SJ A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site. J Med Chem38:305-17 (1995) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Gag-Pol polyprotein [489-587] |
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| Name: | Gag-Pol polyprotein [489-587] |
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| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10781.16 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P04585[489-587] |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
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|
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| BDBM9292 |
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| n/a |
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| Name | BDBM9292 |
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| Synonyms: | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-[(3S)-oxolan-3-yl]-2-(quinolin-2-ylformamido)acetamido]-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide | Ro 31-8959 (Saquinavir) analog 24 |
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| Type | Small organic molecule |
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| Emp. Form. | C40H53N5O5 |
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| Mol. Mass. | 683.8793 |
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| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCOC1 |r| |
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| Structure | 
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