| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50520749 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1882113 (CHEMBL4383612) |
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| Ki | 0.100000±n/a nM |
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| Citation |  Ghosh, AK; Jadhav, RD; Simpson, H; Kovela, S; Osswald, H; Agniswamy, J; Wang, YF; Hattori, SI; Weber, IT; Mitsuya, H Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem160:171-182 (2018) [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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| BDBM50520749 |
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| n/a |
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| Name | BDBM50520749 |
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| Synonyms: | CHEMBL4459250 |
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| Type | Small organic molecule |
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| Emp. Form. | C36H47N3O9S2 |
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| Mol. Mass. | 729.903 |
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| SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)[C@@H](CCS2(=O)=O)NC(=O)OC(C)(C)C |r| |
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| Structure | 
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