Reaction Details |
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Target | Protease |
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Ligand | BDBM50545792 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1996598 (CHEMBL4630493) |
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Ki | 0.302000±n/a nM |
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Citation | Rusere, LN; Lockbaum, GJ; Henes, M; Lee, SK; Spielvogel, E; Rao, DN; Kosovrasti, K; Nalivaika, EA; Swanstrom, R; Kurt Yilmaz, N; Schiffer, CA; Ali, A Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J Med Chem63:8296-8313 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Protease |
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Name: | Protease |
Synonyms: | n/a |
Type: | Enzyme |
Mol. Mass.: | 10904.79 |
Organism: | Human immunodeficiency virus 1 (HIV-1) |
Description: | Q9YQ12 |
Residue: | 99 |
Sequence: | PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM50545792 |
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n/a |
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Name | BDBM50545792 |
Synonyms: | CHEMBL4639819 |
Type | Small organic molecule |
Emp. Form. | C32H43N3O8 |
Mol. Mass. | 597.6991 |
SMILES | [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccccc1 |r| |
Structure |
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