Reaction Details  Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM742
Substrate
decapeptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
20±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:
BDBM742
Synonyms:
(2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethylphenoxy)propanamido]-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide | Palinavir deriv. 14
Type:
Small organic molecule
Emp. Form.:
C37H50N4O5
Mol. Mass.:
630.8167
SMILES:
CC(Oc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r,w:1.0|
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