Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1238
Substrate
decapeptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
19±n/a nM
Citation
 Beaulieu, PL; Wernic, D; Abraham, A; Anderson, PC; Bogri, T; Bousquet, Y; Croteau, G; Guse, I; Lamarre, D; Liard, F; Paris, W; Thibeault, D; Pav, S; Tong, L Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere. J Med Chem 40:2164-76 (1997) [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:
BDBM1238
Synonyms:
(Hydroxyethyl)amidosuccinoyl deriv. 10 | benzyl N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(propan-2-yl)butanediamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C29H41N3O5
Mol. Mass.:
511.6529
SMILES:
CC(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C |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