Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM550
Substrate
Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
0.06±n/a nM
Citation
 Thaisrivongs, SSkulnick, HITurner, SRStrohbach, JWTommasi, RAJohnson, PDAristoff, PAJudge, TMGammill, RBMorris, JKRomines, KRChrusciel, RAHinshaw, RRChong, KTTarpley, WGPoppe, SMSlade, DELynn, JCHorng, MMTomich, PKSeest, EPDolak, LAHowe, WJHoward, GMWatenpaugh, KD Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors. J Med Chem 39:4349-53 (1996) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Tandem linked enzyme construct
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM550
Synonyms:
N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide | Sulfonamide-Containing 5,6-Dihydro-4-hydroxy-2-pyrones | Tipranavir analog 7
Type:
Small organic molecule
Emp. Form.:
C29H35N3O5S
Mol. Mass.:
537.67
SMILES:
CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1447.64
Organism:
n/a
Description:
The peptide was derivatized with biotin and fluorescein isothiocyanate at the amino and carboxy termini.
Residue:
12
Sequence:
RVSQNYPIVQNK