| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM50422335 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158034 (CHEMBL768258) |
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| IC50 | 39±n/a nM |
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| Citation |  Jayatilleke, PR; Nair, AC; Zauhar, R; Welsh, WJ Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models. J Med Chem43:4446-51 (2000) [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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| BDBM50422335 |
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| n/a |
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| Name | BDBM50422335 |
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| Synonyms: | CHEMBL140087 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H40N2O5 |
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| Mol. Mass. | 532.6704 |
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| SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC(CO)c1ccccc1 |
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| Structure | 
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