| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 Protease Mutant (D30N) |
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| Ligand | BDBM8125 |
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| Substrate/Competitor | HIV Peptide Substrate |
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| Meas. Tech. | Protease Inhibition Assay |
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| pH | 5.6±n/a |
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| Temperature | 310.15±n/a K |
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| Ki | 6.6±1.0 nM |
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| Km | 31000±5000 nM |
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| Comments | Kcat/Km=7±1 min-1nM-1 |
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| Citation |  Kovalevsky, AY; Tie, Y; Liu, F; Boross, PI; Wang, YF; Leshchenko, S; Ghosh, AK; Harrison, RW; Weber, IT Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M. J Med Chem49:1379-87 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| |
| HIV-1 Protease Mutant (D30N) |
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| Name: | HIV-1 Protease Mutant (D30N) |
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| Synonyms: | n/a |
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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: | HIV-1 Protease Mutant (D30N) chain A |
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| Synonyms: | HIV-1 Protease Mutant (D30N) chain B | LAI(D30N) |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10732.13 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | n/a |
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| Residue: | 99 |
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| Sequence: | PQITLWKRPLVTIKIGGQLKEALLDTGADNTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
|
|
|
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| Component 2 |
| Name: | HIV-1 Protease Mutant (D30N) chain A |
|---|
| Synonyms: | HIV-1 Protease Mutant (D30N) chain B | LAI(D30N) |
|---|
| Type: | Enzyme Subunit |
|---|
| Mol. Mass.: | 10732.13 |
|---|
| Organism: | Human immunodeficiency virus type 1 |
|---|
| Description: | n/a |
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| Residue: | 99 |
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| Sequence: | PQITLWKRPLVTIKIGGQLKEALLDTGADNTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
|
|
|
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| BDBM8125 |
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| Name | BDBM8125 |
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| Synonyms: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir |
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| Type | Small organic molecule |
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| Emp. Form. | C27H37N3O7S |
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| Mol. Mass. | 547.664 |
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| SMILES | [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| |
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| Structure |  |
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| HIV Peptide Substrate |
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| Name: | HIV Peptide Substrate |
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| Synonyms: | n/a |
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| Type: | Peptide |
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| Mol. Mass.: | 3156.95 |
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| Organism: | n/a |
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| Description: | n/a |
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| Residue: | 27 |
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| Sequence: | Ac-RE(Edans)SQNY*PIVRK(Dabcyl)R-CO-NH2
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