| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM854 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158026 (CHEMBL768619) |
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| KOFF | 0.000365 s-1 |
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| Citation |  Markgren, PO; Schaal, W; Hämäläinen, M; Karlén, A; Hallberg, A; Samuelsson, B; Danielson, UH Relationships between structure and interaction kinetics for HIV-1 protease inhibitors. J Med Chem45:5430-9 (2002) [PubMed] |
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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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| BDBM854 |
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| n/a |
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| Name | BDBM854 |
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| Synonyms: | C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis{4-[(E)-2-methoxycarbonylethenyl]-benzyloxy}-3,4-dihydroxyhexanediamide |
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| Type | Small organic molecule |
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| Emp. Form. | C40H54N4O12 |
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| Mol. Mass. | 782.8764 |
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| SMILES | CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(\C=C\C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(\C=C\C(=O)OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| |
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| Structure | 
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