| Reaction Details |
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 | Report a problem with these data |
| Target | Protease |
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| Ligand | BDBM8125 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1584373 (CHEMBL3819794) |
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| Kd | 0.016000±n/a nM |
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| Citation |  Chéron, N; Jasty, N; Shakhnovich, EI OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands. J Med Chem59:4171-88 (2016) [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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| BDBM8125 |
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| n/a |
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| Name | BDBM8125 |
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| Synonyms: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir |
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| Type | Small organic molecule |
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| Emp. Form. | C27H37N3O7S |
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| Mol. Mass. | 547.664 |
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| SMILES | [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| |
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| Structure | 
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