Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [514-612]
Ligand
BDBM874
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
120±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:
BDBM874
Synonyms:
1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | benzyl N-[(1S)-1-{[(2S,3S,4R)-4-{[(1R)-1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylpropyl]carbamoyl}-3-hydroxy-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C45H55N7O7
Mol. Mass.:
805.9609
SMILES:
COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)NC(C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |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