| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM50035629 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158030 (CHEMBL768621) |
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| IC50 | 212±n/a nM |
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| Citation |  Vieth, M; Cummins, DJ DoMCoSAR: a novel approach for establishing the docking mode that is consistent with the structure-activity relationship. Application to HIV-1 protease inhibitors and VEGF receptor tyrosine kinase inhibitors. J Med Chem43:3020-32 (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] |
|---|
| 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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| BDBM50035629 |
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| n/a |
|---|
| Name | BDBM50035629 |
|---|
| Synonyms: | CHEMBL105299 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((1S,2R)-2-hydroxy-1-methyl-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester | [1-Benzyl-2-hydroxy-4-(2-hydroxy-1-methyl-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C34H42N2O5 |
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| Mol. Mass. | 558.7077 |
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| SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)[C@H](O)Cc2ccccc12 |
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| Structure | 
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