Reaction Details |
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Target | Protease |
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Ligand | BDBM50485122 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_818090 (CHEMBL2033732) |
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Ki | 1.7±n/a nM |
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Citation | Wu, X; Ohrngren, P; Joshi, AA; Trejos, A; Persson, M; Arvela, RK; Wallberg, H; Vrang, L; Rosenquist, A; Samuelsson, BB; Unge, J; Larhed, M Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors. J Med Chem55:2724-36 (2012) [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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BDBM50485122 |
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n/a |
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Name | BDBM50485122 |
Synonyms: | CHEMBL2030955 |
Type | Small organic molecule |
Emp. Form. | C42H49N5O6 |
Mol. Mass. | 719.8684 |
SMILES | COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| |
Structure |
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