Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [514-612]
Ligand
BDBM858
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
27±n/a nM
Citation
 Ettmayer, P; Billich, A; Hecht, P; Rosenwirth, B; Gstach, H Paracyclophanes: a novel class of water-soluble inhibitors of HIV proteinase. J Med Chem 39:3291-9 (1996) [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:
BDBM858
Synonyms:
1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 | benzyl N-[(1S)-1-{[(1S,2S)-1-[(13R,16R)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),19,22-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C42H57N5O9
Mol. Mass.:
775.9301
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3062.94
Organism:
Synthesized
Description:
n/a
Residue:
29
Sequence:
HLYSALAARGVALLEPNPHGLALANLENH