| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50457611 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1760346 (CHEMBL4195354) |
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| Ki | 0.002000±n/a nM |
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| Citation |  Ghosh, AK; R Nyalapatla, P; Kovela, S; Rao, KV; Brindisi, M; Osswald, HL; Amano, M; Aoki, M; Agniswamy, J; Wang, YF; Weber, IT; Mitsuya, H Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J Med Chem61:4561-4577 (2018) [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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| BDBM50457611 |
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| n/a |
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| Name | BDBM50457611 |
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| Synonyms: | CHEMBL4214453 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H42F2N4O7S2 |
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| Mol. Mass. | 720.847 |
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| SMILES | [H][C@]12CO[C@]3([H])OCC[C@]([H])([C@@H](C1)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc4nc(NC5CC5)sc4c1)[C@]23[H] |r| |
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| Structure | 
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