| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM493 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158032 (CHEMBL766933) |
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| IC50 | 105.2±n/a nM |
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| Citation |  Oprea, TI; Waller, CL; Marshall, GR Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes. J Med Chem37:2206-15 (1994) [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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| BDBM493 |
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| n/a |
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| Name | BDBM493 |
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| Synonyms: | (Hydroxyethyl)urea Isostere deriv. 21 | benzyl N-[(1S)-1-{[(2S,3R)-4-[(tert-butylcarbamoyl)(pyridin-4-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C33H42N6O6 |
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| Mol. Mass. | 618.7232 |
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| SMILES | CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Cc1ccncc1 |r| |
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| Structure | 
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