Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM728
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
5.7±n/a nM
Citation
 Smith, AB; Cantin, LD; Pasternak, A; Guise-Zawacki, L; Yao, W; Charnley, AK; Barbosa, J; Sprengeler, PA; Hirschmann, R; Munshi, S; Olsen, DB; Schleif, WA; Kuo, LC Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors. J Med Chem 46:1831-44 (2003) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599]
Synonyms:
HIV-1 Protease | HIV-1 Protease, recombinant, isolate HXB2
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM728
Synonyms:
(3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | Pyrrolinone deriv. 9 | Pyrrolinone inhibitor 9 | Tetrahydroisoquinolyl Inhibitor | monopyrrolinone-based inhibitor (+)-3 | monopyrrolinone-based inhibitor 3
Type:
Small organic molecule
Emp. Form.:
C35H37N3O6
Mol. Mass.:
595.6848
SMILES:
O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2CNC(=O)c3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
755.86
Organism:
n/a
Description:
n/a
Residue:
7
Sequence:
VSQNPIV