Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM766
Substrate
Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
3.3±n/a nM
Comments
In vitro enzyme kinetics were performed with a fused recombinantenzyme instead of the dimeric native protease to obviateenzyme dissociation. To obtain these lower Ki values, assayswere incubated for 72 h at a lower enzyme concentration (0.2-0.5 nM).
Citation
 Skulnick, HI; Johnson, PD; Aristoff, PA; Morris, JK; Lovasz, KD; Howe, WJ; Watenpaugh, KD; Janakiraman, MN; Anderson, DJ; Reischer, RJ; Schwartz, TM; Banitt, LS; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Dolak, LA; Seest, EP; Schwende, FJ; Rush, BD; Howard, GM; Toth, LN; Wilkinson, KR; Romines, KR Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones. J Med Chem 40:1149-64 (1997) [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:
BDBM766
Synonyms:
Cyclooctylpyranonesulfonamide deriv. 8e | N-{3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}-4-methylbenzene-1-sulfonamide | Sulfonamide-Substituted Cyclooctylpyranone deriv. 35a | U-103017 Analog
Type:
Small organic molecule
Emp. Form.:
C28H31NO5S
Mol. Mass.:
493.614
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
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