Reaction Details
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Dimer of Gag-Pol polyprotein [514-612]
Ligand
BDBM1247
Substrate
decapeptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
42±n/a nM
Citation
Beaulieu, PL; Wernic, D; Abraham, A; Anderson, PC; Bogri, T; Bousquet, Y; Croteau, G; Guse, I; Lamarre, D; Liard, F; Paris, W; Thibeault, D; Pav, S; Tong, L Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere. J Med Chem 40:2164-76 (1997) [PubMed] Article Target
Name:
Dimer of Gag-Pol polyprotein [514-612]
Synonyms:
HIV-2 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [514-612]
Synonyms:
HIV-2 Protease chain A | HIV-2 Protease chain B | POL_HV2RO | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10718.25
Organism:
Human immunodeficiency virus type 2
Description:
P04584[514-612]
Residue:
99
Sequence:
PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL
Component 2
Name:
Gag-Pol polyprotein [514-612]
Synonyms:
HIV-2 Protease chain A | HIV-2 Protease chain B | POL_HV2RO | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10718.25
Organism:
Human immunodeficiency virus type 2
Description:
P04584[514-612]
Residue:
99
Sequence:
PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL
Inhibitor
Name:
BDBM1247
Synonyms:
(2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(quinolin-2-ylformamido)butanamido]-4-phenylbutyl]-N'-(pentan-3-yl)butanediamide | (Hydroxyethyl)amidosuccinoyl deriv. 19
Type:
Small organic molecule
Emp. Form.:
C38H53N5O5
Mol. Mass.:
659.8579
SMILES:
CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)(C)C |r|
Structure:
Substrate
Name:
decapeptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1417.08
Organism:
n/a
Description:
n/a
Residue:
12
Sequence:
VSFNFPQITLNH