Reaction Details |
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Target | Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] |
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Ligand | BDBM35970 |
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Substrate/Competitor | HIV Protease Substrate |
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Meas. Tech. | Enzyme Inhibition Assay (Ki) and Antiviral Activity Assay (EC50/IC50) |
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pH | 6.4±n/a |
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Temperature | 298.15±n/a K |
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Ki | 0.058±0.005 nM |
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EC50 | 14±n/a nM |
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Citation | Ghosh, AK; Kulkarni, S; Anderson, DD; Hong, L; Baldridge, A; Wang, YF; Chumanevich, AA; Kovalevsky, AY; Tojo, Y; Amano, M; Koh, Y; Tang, J; Weber, IT; Mitsuya, H Design, synthesis, protein-ligand X-ray structure, and biological evaluation of a series of novel macrocyclic human immunodeficiency virus-1 protease inhibitors to combat drug resistance. J Med Chem52:7689-705 (2009) [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 [501-599,Q508K,L534I,L564I,C568A,C596A] |
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Name: | Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] |
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 [501-599,Q508K,L534I,L564I,C568A,C596A] |
Synonyms: | HIV-1 Protease chain A | POL_HV1BR | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10732.11 |
Organism: | Human immunodeficiency virus type 1 |
Description: | The HIV-1 protease (Genbank HIVHXB2CG) clone was constructed with the substitutions Q7K, L33I, and L63I, to minimize the autoproteolysis of the protease, and C67A and C95A, to prevent cysteine-thiol oxidation. |
Residue: | 99 |
Sequence: | PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
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Component 2 |
Name: | Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] |
Synonyms: | HIV-1 Protease chain A | POL_HV1BR | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10732.11 |
Organism: | Human immunodeficiency virus type 1 |
Description: | The HIV-1 protease (Genbank HIVHXB2CG) clone was constructed with the substitutions Q7K, L33I, and L63I, to minimize the autoproteolysis of the protease, and C67A and C95A, to prevent cysteine-thiol oxidation. |
Residue: | 99 |
Sequence: | PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
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BDBM35970 |
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HIV Protease Substrate |
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Name: | HIV Protease Substrate |
Synonyms: | n/a |
Type: | Fluorogenic peptide |
Mol. Mass.: | 3467.28 |
Organism: | n/a |
Description: | n/a |
Residue: | 30 |
Sequence: | 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2
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