Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM748
Substrate
decapeptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
1.5±n/a nM
Citation
 Beaulieu, PL; Anderson, PC; Cameron, DR; Croteau, G; Gorys, V; Grand-Maitre, C; Lamarre, D; Liard, F; Paris, W; Plamondon, L; Soucy, F; Thibeault, D; Wernic, D; Yoakim, C; Pav, S; Tong, L 2',6'-Dimethylphenoxyacetyl: a new achiral high affinity P(3)-P(2) ligand for peptidomimetic-based HIV protease inhibitors. J Med Chem 43:1094-108 (2000) [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:
BDBM748
Synonyms:
(2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutyl]-4-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]piperidine-2-carboxamide | Palinavir deriv. 20
Type:
Small organic molecule
Emp. Form.:
C36H49N5O4S
Mol. Mass.:
647.87
SMILES:
Cc1cc(S[C@@H]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)[C@@H](C2)C(=O)NC(C)(C)C)nc(C)n1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
decapeptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1417.08
Organism:
n/a
Description:
n/a
Residue:
12
Sequence:
VSFNFPQITLNH