Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM897
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
Citation
 Smith, AB; Hirschmann, R; Pasternak, A; Akaishi, R; Guzman, MC; Jones, DR; Keenan, TP; Sprengeler, PA; Darke, PL; Emini, EA Design and synthesis of peptidomimetic inhibitors of HIV-1 protease and renin. Evidence for improved transport. J Med Chem 37:215-8 (1994) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
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 [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM897
Synonyms:
Peptidomimetic inhibitor 1 | methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-[(5S)-5-[(5S)-5-[(5S)-5-(3-methylbut-2-en-1-yl)-5-(2-methylpropyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-5-(2-methylpropyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-pyrrol-3-yl]-3-phenylpropanoate
Type:
Small organic molecule
Emp. Form.:
C43H60N4O7
Mol. Mass.:
744.9591
SMILES:
[#6]-[#8]-[#6](=O)[C@@]([#6]-c1ccccc1)([#7]-[#6](=O)-[#8]C([#6])([#6])[#6])[#6]-1-[#6]=[#7][C@@]([#6](-[#6])-[#6])([#6]-2-[#6]=[#7][C@@]([#6]-[#6](-[#6])-[#6])([#6]-3-[#6]=[#7][C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6](-[#6])-[#6])[#6]-3=O)[#6]-2=O)[#6]-1=O |r,c:22,29,37|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4618.57
Organism:
n/a
Description:
n/a
Residue:
43
Sequence:
NHVALSERGLNASNETANAPTHYLALANINEPRVALILEGLNH