Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM50078088 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_79977 (CHEMBL690415) |
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pH | 4.7±n/a |
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Ki | 0.090000±n/a nM |
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Comments | extracted |
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Citation | Ellsworth, EL; Domagala, J; Prasad, JV; Hagen, S; Ferguson, D; Holler, T; Hupe, D; Graham, N; Nouhan, C; Tummino, PJ; Zeikus, G; Lunney, EA 4-hydroxy-5,6-dihydro-2H-pyran-2-ones.3. Bicyclic and hetero-aromatic ring systems as 3-position scaffolds to bind to S1' and S2' of the HIV-1 protease enzyme. Bioorg Med Chem Lett9:2019-24 (1999) [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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BDBM50078088 |
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n/a |
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Name | BDBM50078088 |
Synonyms: | (S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one | CHEMBL37037 |
Type | Small organic molecule |
Emp. Form. | C28H36O5S |
Mol. Mass. | 484.647 |
SMILES | CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |
Structure |
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