| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM50528150 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1904492 (CHEMBL4406714) |
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| Ki | 0.008000±n/a nM |
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| Citation |  Ghosh, AK; Kovela, S; Osswald, HL; Amano, M; Aoki, M; Agniswamy, J; Wang, YF; Weber, IT; Mitsuya, H Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies. J Med Chem63:4867-4879 (2020) [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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| BDBM50528150 |
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| n/a |
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| Name | BDBM50528150 |
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| Synonyms: | CHEMBL4449179 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H41FN4O7S2 |
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| Mol. Mass. | 688.83 |
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| SMILES | [H][C@@]12CO[C@]3([H])OC(C[C@]13[H])C(C2)OC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1 |r,TLB:13:11:4.6:8,2:1:4.6:8,THB:3:4:1.11.12:8| |
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| Structure | 
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