| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM50041151 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_159974 (CHEMBL768121) |
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| Ki | 33±n/a nM |
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| Citation |  Reddy, MR; Varney, MD; Kalish, V; Viswanadhan, VN; Appelt, K Calculation of relative differences in the binding free energies of HIV1 protease inhibitors: a thermodynamic cycle perturbation approach. J Med Chem37:1145-52 (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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|
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| BDBM50041151 |
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| n/a |
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| Name | BDBM50041151 |
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| Synonyms: | CHEMBL15561 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(1H-indol-2-yl)-(3-trifluoromethyl-phenyl)-methyl]-carbamoyl}-butyl)-2-[(quinoline-2-carbonyl)-amino]-succinamic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C42H38F3N5O6 |
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| Mol. Mass. | 765.7762 |
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| SMILES | O[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O |
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| Structure | 
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