Reaction Details |
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Target | Dimer of Gag-Pol polyprotein [489-587] |
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Ligand | BDBM4692 |
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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 | 0.00026±n/a nM |
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Comments | Ki=r*KiGW0385, r is determined at equilibrium from measured [E[3H]GW0385] and total concentrations of E, [3H]GW0385, and compound. |
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Citation | Miller, JF; Furfine, ES; Hanlon, MH; Hazen, RJ; Ray, JA; Robinson, L; Samano, V; Spaltenstein, A Novel arylsulfonamides possessing sub-picomolar HIV protease activities and potent anti-HIV activity against wild-type and drug-resistant viral strains. Bioorg Med Chem Lett14:959-63 (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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BDBM4692 |
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BDBM4685 |
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Name | BDBM4692 |
Synonyms: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)({5-[(methoxycarbonyl)amino]-2,2-dimethylpentyl})sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | arylsulfonamide 11a |
Type | Small organic molecule |
Emp. Form. | C32H46N4O9S |
Mol. Mass. | 662.794 |
SMILES | [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1ccc(N)cc1 |r| |
Structure |
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