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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Ligand
BDBM8125
Substrate
HIV Protease substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.4±n/a
Temperature
298.15±n/a K
Ki
0.014±n/a nM
Citation
Ghosh, AK; Sridhar, PR; Leshchenko, S; Hussain, AK; Li, J; Kovalevsky, AY; Walters, DE; Wedekind, JE; Grum-Tokars, V; Das, D; Koh, Y; Maeda, K; Gatanaga, H; Weber, IT; Mitsuya, H Structure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance. J Med Chem 49:5252-61 (2006) [PubMed] Article
More Info.:
Target
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
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 Protease substrate
Synonyms:
Fluorogenic Peptide Substrate
Type:
Peptide
Mol. Mass.:
3467.28
Organism:
n/a
Description:
n/a
Residue:
30
Sequence:
AMINENYLTHRILENLEPHEPNGLNARGNH