Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM2521
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.2±n/a
Temperature
310.15±n/a K
IC50
12±n/a nM
Citation
 Hagen, SE; Prasad, JV; Boyer, FE; Domagala, JM; Ellsworth, EL; Gajda, C; Hamilton, HW; Markoski, LJ; Steinbaugh, BA; Tait, BD; Lunney, EA; Tummino, PJ; Ferguson, D; Hupe, D; Nouhan, C; Gracheck, SJ; Saunders, JM; VanderRoest, S Synthesis of 5,6-dihydro-4-hydroxy-2-pyrones as HIV-1 protease inhibitors: the profound effect of polarity on antiviral activity. J Med Chem 40:3707-11 (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:
BDBM2521
Synonyms:
3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-[4-(2-hydroxyethoxy)phenyl]-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | 6-Phenyl-6-phenethyldihydropyrone 13j
Type:
Small organic molecule
Emp. Form.:
C32H36O5S
Mol. Mass.:
532.69
SMILES:
Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4517.01
Organism:
n/a
Description:
n/a
Residue:
41
Sequence:
HHISLYSALAARGVALLEPNPHEGLALANRLECINESERNH