| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50213021 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_609663 (CHEMBL1067226) |
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| IC50 | 0.400000±n/a nM |
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| Citation |  Bonini, C; Chiummiento, L; De Bonis, M; Di Blasio, N; Funicello, M; Lupattelli, P; Pandolfo, R; Tramutola, F; Berti, F Synthesis of new thienyl ring containing HIV-1 protease inhibitors: promising preliminary pharmacological evaluation against recombinant HIV-1 proteases. J Med Chem53:1451-7 (2010) [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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| BDBM50213021 |
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| n/a |
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| Name | BDBM50213021 |
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| Synonyms: | CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | Ro-318959000 | Saquinavir | US10806794, Compound Saquinavir |
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| Type | Small organic molecule |
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| Emp. Form. | C38H50N6O5 |
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| Mol. Mass. | 670.8408 |
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| SMILES | [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| |
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| Structure | 
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