Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM935 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_159137 (CHEMBL859312) |
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Ki | 199±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] |
Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10781.16 |
Organism: | Human immunodeficiency virus type 1 |
Description: | P04585[489-587] |
Residue: | 99 |
Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM935 |
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n/a |
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Name | BDBM935 |
Synonyms: | 5PhBuCOOH deriv. | Statine deriv. 15 | Tle-Val-Sta | benzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)ethyl]amino}butan-2-yl]carbamoyl}-2-methylpropyl]carbamate |
Type | Small organic molecule |
Emp. Form. | C43H54N6O6 |
Mol. Mass. | 750.9255 |
SMILES | CC(C)[C@H](NC(=O)[C@H](NCCc1ccccn1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r| |
Structure |
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