Reaction Details |
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Target | Protease |
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Ligand | BDBM50485749 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_858662 (CHEMBL2166544) |
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Ki | 0.028000±n/a nM |
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Citation | Parai, MK; Huggins, DJ; Cao, H; Nalam, MN; Ali, A; Schiffer, CA; Tidor, B; Rana, TM Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J Med Chem55:6328-41 (2012) [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 |
Synonyms: | n/a |
Type: | Enzyme |
Mol. Mass.: | 10904.79 |
Organism: | Human immunodeficiency virus 1 (HIV-1) |
Description: | Q9YQ12 |
Residue: | 99 |
Sequence: | PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM50485749 |
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n/a |
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Name | BDBM50485749 |
Synonyms: | CHEMBL2165915 |
Type | Small organic molecule |
Emp. Form. | C28H40N2O8S |
Mol. Mass. | 564.691 |
SMILES | CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H](C)C(=O)OC)S(=O)(=O)c1ccc(OC)cc1 |r| |
Structure |
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