Reaction Details |
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Target | Protease |
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Ligand | BDBM912 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1290254 (CHEMBL3118383) |
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Ki | 52±n/a nM |
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Citation | Gros, G; Martinez, L; Gimenez, AS; Adler, P; Maurin, P; Wolkowicz, R; Falson, P; Hasserodt, J Modular construction of quaternary hemiaminal-based inhibitor candidates and their in cellulo assessment with HIV-1 protease. Bioorg Med Chem21:5407-13 (2013) [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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BDBM912 |
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n/a |
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Name | BDBM912 |
Synonyms: | (3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid | CHEMBL296588 | Iva-Val-Val-Sta-Ala-Sta-OH | N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid | PEPSTATIN | Pepstatine | US9115083, Pepstatin |
Type | Small organic molecule |
Emp. Form. | C34H63N5O9 |
Mol. Mass. | 685.8921 |
SMILES | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| |
Structure |
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