Reaction Details |
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Target | Dimer of Gag-Pol polyprotein [489-587] |
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Ligand | BDBM304 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Protease Inhibition Assay |
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IC50 | 5.3±n/a nM |
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Comments | k309r350 |
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Citation | Kim, BM; Evans, BE; Gilbert, KF; Hanifin, CM; Vacca, JP; Michelson, SR; Darke, PL; Zugay, JA Cycloalkylpiperazines as HIV-1 Protease Inhibitors: Enhanced Oral Absorption Bioorg Med Chem Lett5:2707-12 (1995) |
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More Info.: | Get all data from this article, Assay Method |
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Dimer of Gag-Pol polyprotein [489-587] |
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Name: | Dimer of Gag-Pol polyprotein [489-587] |
Synonyms: | HIV-1 Protease |
Type: | Protein Complex |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | Gag-Pol polyprotein [489-587] |
Synonyms: | HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10822.21 |
Organism: | Human immunodeficiency virus type 1 |
Description: | P12497[489-587] |
Residue: | 99 |
Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2 |
Name: | Gag-Pol polyprotein [489-587] |
Synonyms: | HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10822.21 |
Organism: | Human immunodeficiency virus type 1 |
Description: | P12497[489-587] |
Residue: | 99 |
Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM304 |
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n/a |
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Name | BDBM304 |
Synonyms: | (2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | 1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 15 |
Type | Small organic molecule |
Emp. Form. | C36H52N4O6S |
Mol. Mass. | 668.886 |
SMILES | CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1Cc2ccccc2C1 |r,w:38.40| |
Structure |
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