| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM12216 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_593566 (CHEMBL1036996) |
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| Ki | 0.200000±n/a nM |
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| Citation |  Adrian Meredith, J; Wallberg, H; Vrang, L; Oscarson, S; Parkes, K; Hallberg, A; Samuelsson, B Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Eur J Med Chem45:160-70 (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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| BDBM12216 |
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| n/a |
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| Name | BDBM12216 |
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| Synonyms: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide | symmetric/asymmetric inhibitor 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H43N3O8 |
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| Mol. Mass. | 633.7312 |
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| SMILES | CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)C |r| |
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| Structure | 
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