Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM381
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
30±n/a nM
Citation
 Ghosh, AK; Thompson, WJ; Lee, HY; McKee, SP; Munson, PM; Duong, TT; Darke, PL; Zugay, JA; Emini, EA; Schleif, WA Cyclic sulfolanes as novel and high affinity P2 ligands for HIV-1 protease inhibitors. J Med Chem 36:924-7 (1993) [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:
BDBM381
Synonyms:
(2R,3R)-2-(2-methylpropyl)-1,1-dioxo--thiolan-3-yl N-[(2S,3R)-4-[(4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | Sulfone Deriv. 14
Type:
Small organic molecule
Emp. Form.:
C33H53N3O6S
Mol. Mass.:
619.855
SMILES:
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1CC(C)C)C(C2)C(=O)NC(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