Reaction Details |
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Target | Protease |
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Ligand | BDBM50061306 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_609663 (CHEMBL1067226) |
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IC50 | 1.9±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 |
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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BDBM50061306 |
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n/a |
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Name | BDBM50061306 |
Synonyms: | (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid | AG-1343 | CHEMBL1205 | NELFINAVIR MESYLATE | Nelfinavir | Viracept | cmdc.202100576, 24h |
Type | Small organic molecule |
Emp. Form. | C32H45N3O4S |
Mol. Mass. | 567.782 |
SMILES | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| |
Structure |
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