Reaction Details |
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Target | Protease |
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Ligand | BDBM50498808 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1523253 (CHEMBL3632388) |
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Ki | 0.270000±n/a nM |
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Citation | Ghosh, AK; Takayama, J; Kassekert, LA; Ella-Menye, JR; Yashchuk, S; Agniswamy, J; Wang, YF; Aoki, M; Amano, M; Weber, IT; Mitsuya, H Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands. Bioorg Med Chem Lett25:4903-4909 (2015) [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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BDBM50498808 |
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n/a |
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Name | BDBM50498808 |
Synonyms: | CHEMBL3627874 |
Type | Small organic molecule |
Emp. Form. | C35H45N3O8S |
Mol. Mass. | 667.812 |
SMILES | COC[C@H]1C[C@H](O)CN1C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| |
Structure |
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