Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM902
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
1.3±n/a nM
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:
BDBM902
Synonyms:
(3R)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(1R)-1-carbamoyl-2-phenylethyl]-2-(2-methylpropyl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | Peptidomimetic inhibitor 6
Type:
Small organic molecule
Emp. Form.:
C43H50N4O7
Mol. Mass.:
734.8797
SMILES:
CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)(Cc2ccccc2)C1=O |r,c:5,24|
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