Reaction Details |
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Target | Protease |
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Ligand | BDBM50494413 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1276057 (CHEMBL3088980) |
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Ki | 37±n/a nM |
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Citation | Joshi, A; Véron, JB; Unge, J; Rosenquist, Ĺ; Wallberg, H; Samuelsson, B; Hallberg, A; Larhed, M Design and synthesis of P1-P3 macrocyclic tertiary-alcohol-comprising HIV-1 protease inhibitors. J Med Chem56:8999-9007 (2013) [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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BDBM50494413 |
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n/a |
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Name | BDBM50494413 |
Synonyms: | CHEMBL3086257 |
Type | Small organic molecule |
Emp. Form. | C39H56BrN5O6 |
Mol. Mass. | 770.796 |
SMILES | COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccc(CC=C)cc1)C(=O)N[C@H](C(=O)NCC=C)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C |r| |
Structure |
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