| Reaction Details |
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 | Report a problem with these data |
| Target | Dimer of Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM4690 |
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| Substrate/Competitor | BDBM4685 |
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| Meas. Tech. | Kinetic Competitive Displacement Assay |
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| pH | 5.5±n/a |
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| Temperature | 303.15±n/a K |
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| Ki | 0.000006±n/a nM |
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| Comments | Ki=r*KiGW0385. The r is calculated as k-1,compound/k-1,GW0385 assuming thatk1,compound = k1,GW0385, the k-1 is dissociation rate constant, and the k1 is association rate constant. |
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| Citation |  Hanlon, MH; Porter, DJ; Furfine, ES; Spaltenstein, A; Carter, HL; Danger, D; Shu, AY; Kaldor, IW; Miller, JF; Samano, VA Inhibition of wild-type and mutant human immunodeficiency virus type 1 proteases by GW0385 and other arylsulfonamides. Biochemistry43:14500-7 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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] |
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| Synonyms: | HIV-1 Protease |
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| Type: | Protein Complex |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Gag-Pol polyprotein [489-587] |
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| Synonyms: | HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10822.21 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P12497[489-587] |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
|
|
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| Component 2 |
| Name: | Gag-Pol polyprotein [489-587] |
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| Synonyms: | HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10822.21 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P12497[489-587] |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
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|
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| BDBM4690 |
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| BDBM4685 |
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| Name | BDBM4690 |
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| Synonyms: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]carbamate | GW0385 analog 5 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H41N3O10S |
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| Mol. Mass. | 683.768 |
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| SMILES | [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| |
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| Structure | 
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