| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM590 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_162612 |
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| IC50 | 4.8±n/a nM |
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| Citation |  Holmes, DS; Clemens, IR; Cobley, KN; Humber, DC; Kitchin, J; Orr, DC; Patel, B; Paternoster, IL; Storer, R Novel dimeric penicillin derived inhibitors of HIV-1 proteinase: interaction with the catalytic aspartates Bioorg Med Chem Lett3:503-508 (1993) 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] |
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| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10781.16 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P04585[489-587] |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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| BDBM590 |
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| n/a |
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| Name | BDBM590 |
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| Synonyms: | (2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)methyl]-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | CHEMBL105851 | [2R-[2a(R*),4B]]-4,4 -[ 1,2-Ethanediylbis[ aminocarbonyl]]-bis[N-ethyl-5,5-dimethyl-a-[ (phenylacetyl)amino]-2-thiazolidineacetamide] | penicillin Et(NH)2 Sym dimmer | penicillin deriv. 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C38H54N8O6S2 |
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| Mol. Mass. | 783.015 |
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| SMILES | [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC |r| |
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| Structure | 
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