Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM2535
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.2±n/a
Temperature
310.15±n/a K
IC50
3.2±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:
BDBM2535
Synonyms:
6-Alkyl-6-phenethyldihydropyrone 13x | 6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-6-cyclohexyl-4-hydroxy-5,6-dihydro-2H-pyran-2-one | PD 178390 Analog 36
Type:
Small organic molecule
Emp. Form.:
C31H41NO4S
Mol. Mass.:
523.727
SMILES:
Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)C2CCCCC2)c(cc1CO)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