Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM50035629 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158029 (CHEMBL877854) |
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IC50 | 214±n/a nM |
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Citation | Pérez, C; Pastor, M; Ortiz, AR; Gago, F Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design. J Med Chem41:836-52 (1998) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Gag-Pol polyprotein [489-587] |
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Name: | Gag-Pol polyprotein [489-587] |
Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10781.16 |
Organism: | Human immunodeficiency virus type 1 |
Description: | P04585[489-587] |
Residue: | 99 |
Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM50035629 |
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n/a |
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Name | BDBM50035629 |
Synonyms: | CHEMBL105299 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((1S,2R)-2-hydroxy-1-methyl-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester | [1-Benzyl-2-hydroxy-4-(2-hydroxy-1-methyl-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester |
Type | Small organic molecule |
Emp. Form. | C34H42N2O5 |
Mol. Mass. | 558.7077 |
SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)[C@H](O)Cc2ccccc12 |
Structure |
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