Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM292
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.2±n/a
Temperature
303.15±n/a K
IC50
57±n/a nM
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:
BDBM292
Synonyms:
(2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(propan-2-yl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | 1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 3
Type:
Small organic molecule
Emp. Form.:
C30H50N4O6S
Mol. Mass.:
594.806
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)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4618.57
Organism:
n/a
Description:
n/a
Residue:
43
Sequence:
NHVALSERGLNASNETANAPTHYLALANINEPRVALILEGLNH