| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50532834 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1924005 (CHEMBL4426961) |
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| Ki | 0.480000±n/a nM |
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| Citation |  Ghosh, AK; Osswald, HL; Glauninger, K; Agniswamy, J; Wang, YF; Hayashi, H; Aoki, M; Weber, IT; Mitsuya, H Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation. J Med Chem59:6826-37 (2016) [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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|
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| BDBM50532834 |
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| n/a |
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| Name | BDBM50532834 |
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| Synonyms: | CHEMBL4516606 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H48N2O8S |
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| Mol. Mass. | 620.797 |
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| SMILES | [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r,TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| |
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| Structure | 
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