Reaction Details |
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Target | Protease |
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Ligand | BDBM50498531 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1511389 (CHEMBL3606514) |
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Ki | 0.012000±n/a nM |
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Citation | Ghosh, AK; Martyr, CD; Osswald, HL; Sheri, VR; Kassekert, LA; Chen, S; Agniswamy, J; Wang, YF; Hayashi, H; Aoki, M; Weber, IT; Mitsuya, H Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. J Med Chem58:6994-7006 (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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BDBM50498531 |
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n/a |
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Name | BDBM50498531 |
Synonyms: | CHEMBL3605642 |
Type | Small organic molecule |
Emp. Form. | C34H49N3O10S |
Mol. Mass. | 691.832 |
SMILES | [H][C@@]12OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])[C@H](CO2)N(C)C(=O)OC(C)(C)C |r| |
Structure |
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