| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM50283119 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158029 (CHEMBL877854) |
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| IC50 | 229±n/a nM |
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| Citation |  Pérez, C; Pastor, M; Ortiz, AR; Gago, F Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design. J Med Chem41:836-52 (1998) [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] |
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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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| BDBM50283119 |
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| n/a |
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| Name | BDBM50283119 |
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| Synonyms: | CHEMBL69604 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(1R,2S)-1-((S)-2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-carbamic acid tert-butyl ester | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(S)-1-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-carbamic acid tert-butyl ester | {1-Benzyl-2-hydroxy-3-[1-(2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-carbamic acid tert-butyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C33H41N3O5 |
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| Mol. Mass. | 559.6957 |
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| SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |
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| Structure | 
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