Reaction Details |
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Target | HIV-1 protease |
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Ligand | BDBM50483626 |
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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 |
Synonyms: | HIV-1 | HIV-1 protease | protease |
Type: | PROTEIN |
Mol. Mass.: | 10795.19 |
Organism: | Human immunodeficiency virus |
Description: | ChEMBL_118439 |
Residue: | 99 |
Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
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BDBM50483626 |
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n/a |
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Name | BDBM50483626 |
Synonyms: | CHEMBL1761676 |
Type | Small organic molecule |
Emp. Form. | C23H35N5O8 |
Mol. Mass. | 509.5527 |
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)Nc1cccc(O)c1 |r| |
Structure |
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