| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50481016 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_600545 (CHEMBL1049070) |
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| IC50 | 4.0±n/a nM |
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| Citation |  da Cunha, EF; Sippl, W; de Castro Ramalho, T; Ceva Antunes, OA; de Alencastro, RB; Albuquerque, MG 3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes. Eur J Med Chem44:4344-52 (2009) [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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| BDBM50481016 |
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| n/a |
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| Name | BDBM50481016 |
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| Synonyms: | CHEMBL568817 |
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| Type | Small organic molecule |
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| Emp. Form. | C42H66N4O10S2 |
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| Mol. Mass. | 851.124 |
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| SMILES | CC(C)[C@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCS(=O)(=O)C(C)(C)C)C(C)C |r| |
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| Structure | 
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