| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM968 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_159137 (CHEMBL859312) |
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| Ki | 12.9±n/a nM |
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| Citation |  Kroemer, RT; Ettmayer, P; Hecht, P 3D-quantitative structure-activity relationships of human immunodeficiency virus type-1 proteinase inhibitors: comparative molecular field analysis of 2-heterosubstituted statine derivatives-implications for the design of novel inhibitors. J Med Chem38:4917-28 (1996) [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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| BDBM968 |
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| n/a |
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| Name | BDBM968 |
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| Synonyms: | (2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylpropyl]-3-hydroxy-4-[(2S)-2-[3-(4-hydroxyphenyl)propanamido]-3,3-dimethylbutanamido]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide | 5PhBuCOOH deriv. | Statine deriv. 51 | Tle-Val-Sta |
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| Type | Small organic molecule |
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| Emp. Form. | C47H59N7O7 |
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| Mol. Mass. | 834.0141 |
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| SMILES | COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(O)cc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| |
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| Structure | 
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