Reaction Details
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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Ligand
BDBM8125
Substrate
HIV Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.6±n/a
Temperature
310.15±n/a K
Ki
2.0±0.4 nM
Km
57000±12000 nM
Comments
Kcat/Km=30±7 min-1nM-1
Citation
![](/images/small/blackdot.gif)
Target
Name:
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Synonyms:
HIV-1 Protease Mutant (I50V)
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,I551V]
Synonyms:
HIV-1 Protease Mutant (I50V) chain A | HIV-1 Protease Mutant (I50V) chain B | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10718.08
Organism:
Human immunodeficiency virus type 1
Description:
All of the mutant constructs in this study are on the wild type containing 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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGVGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
Component 2
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V]
Synonyms:
HIV-1 Protease Mutant (I50V) chain A | HIV-1 Protease Mutant (I50V) chain B | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10718.08
Organism:
Human immunodeficiency virus type 1
Description:
All of the mutant constructs in this study are on the wild type containing 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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGVGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
Inhibitor
Name:
BDBM8125
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
Type:
Small organic molecule
Emp. Form.:
C27H37N3O7S
Mol. Mass.:
547.664
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|
Substrate
Name:
HIV Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3156.95
Organism:
n/a
Description:
n/a
Residue:
27
Sequence:
ACREEDANSSQNYPIVRKDACYLRCNH