| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50522189 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1886095 (CHEMBL4387677) |
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| Ki | 55±n/a nM |
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| Citation |  Ghosh, AK; Williams, JN; Kovela, S; Takayama, J; Simpson, HM; Walters, DE; Hattori, SI; Aoki, M; Mitsuya, H Potent HIV-1 protease inhibitors incorporating squaramide-derived P2 ligands: Design, synthesis, and biological evaluation. Bioorg Med Chem Lett29:2565-2570 (2019) [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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| BDBM50522189 |
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| n/a |
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| Name | BDBM50522189 |
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| Synonyms: | CHEMBL4469790 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H39N3O8S |
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| Mol. Mass. | 613.722 |
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| SMILES | [H][C@@]12CCO[C@]1([H])OC[C@@H]2Nc1c(N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c(=O)c1=O |r| |
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| Structure | 
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