Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM788
Substrate
Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
180±n/a nM
Comments
Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
Citation
 Romines, KR; Watenpaugh, KD; Tomich, PK; Howe, WJ; Morris, JK; Lovasz, KD; Mulichak, AM; Finzel, BC; Lynn, JC; Horng, MM Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors. J Med Chem 38:1884-91 (1995) [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:
BDBM788
Synonyms:
3-(Diphenylmethyl)-5,6,7,8,9,1O-hexahydro-4-hydroxy-W-cycloocta[b]pyran-2-one | 3-(diphenylmethyl)-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one | Cyclooctylpyranone 11
Type:
Small organic molecule
Emp. Form.:
C24H24O3
Mol. Mass.:
360.4456
SMILES:
Oc1c2CCCCCCc2oc(=O)c1C(c1ccccc1)c1ccccc1
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