| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 protease |
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| Ligand | BDBM50483623 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_768437 (CHEMBL1832156) |
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| IC50 | >10000±n/a nM |
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| Citation |  Makatini, MM; Petzold, K; Sriharsha, SN; Ndlovu, N; Soliman, ME; Honarparvar, B; Parboosing, R; Naidoo, A; Arvidsson, PI; Sayed, Y; Govender, P; Maguire, GE; Kruger, HG; Govender, T Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: a hybrid 2D NMR and docking/QM/MM/MD approach. Eur J Med Chem46:3976-85 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| HIV-1 protease |
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| Name: | HIV-1 protease |
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| Synonyms: | HIV-1 | HIV-1 protease | protease |
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| Type: | PROTEIN |
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| Mol. Mass.: | 10795.19 |
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| Organism: | Human immunodeficiency virus |
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| Description: | ChEMBL_118439 |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
|
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|
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| BDBM50483623 |
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| n/a |
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| Name | BDBM50483623 |
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| Synonyms: | CHEMBL1761677 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H44N6O10 |
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| Mol. Mass. | 660.7153 |
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| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(OC(C)=O)C4C5C(C14)C1CC5C3C21 |r,THB:38:39:46.45:43,41:40:46.45:43| |
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| Structure | 
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