Reaction Details |
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Target | Dimer of Gag-Pol polyprotein [489-587] |
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Ligand | BDBM4689 |
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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 | 0.000013±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] |
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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BDBM4689 |
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BDBM4685 |
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Name | BDBM4689 |
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-[2-(thiophen-2-yl)ethoxy]phenyl}butan-2-yl]carbamate | GW0385 analog 4 |
Type | Small organic molecule |
Emp. Form. | C34H42N2O10S2 |
Mol. Mass. | 702.835 |
SMILES | [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| |
Structure |
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