| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50498524 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1511389 (CHEMBL3606514) |
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| Ki | 0.003900±n/a nM |
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| Citation |  Ghosh, AK; Martyr, CD; Osswald, HL; Sheri, VR; Kassekert, LA; Chen, S; Agniswamy, J; Wang, YF; Hayashi, H; Aoki, M; Weber, IT; Mitsuya, H Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. J Med Chem58:6994-7006 (2015) [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 |
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| Synonyms: | n/a |
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| Type: | Enzyme |
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| Mol. Mass.: | 10904.79 |
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| Organism: | Human immunodeficiency virus 1 (HIV-1) |
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| Description: | Q9YQ12 |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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| BDBM50498524 |
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| n/a |
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| Name | BDBM50498524 |
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| Synonyms: | CHEMBL3605638 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H37N5O8S |
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| Mol. Mass. | 603.687 |
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| SMILES | [H][C@@]12OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])[C@H](CO2)N=[N+]=[N-] |r| |
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| Structure | 
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