Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM304
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
IC50
5.3±n/a nM
Comments
k309r350
Citation
 Kim, BM; Evans, BE; Gilbert, KF; Hanifin, CM; Vacca, JP; Michelson, SR; Darke, PL; Zugay, JA Cycloalkylpiperazines as HIV-1 Protease Inhibitors: Enhanced Oral Absorption Bioorg Med Chem Lett 5:2707-12 (1995)    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:
BDBM304
Synonyms:
(2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | 1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 15
Type:
Small organic molecule
Emp. Form.:
C36H52N4O6S
Mol. Mass.:
668.886
SMILES:
CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1Cc2ccccc2C1 |r,w:38.40|
Structure:
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