Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM2179
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.2±n/a
Temperature
310.15±n/a K
IC50
1.0±n/a nM
Citation
 Prasad, JVBoyer, FEDomagala, JMEllsworth, ELGajda, CHamilton, HWHagen, SEMarkoski, LJSteinbaugh, BATait, BDHumblet, CLunney, EAPavlovsky, ARubin, JRFerguson, DGraham, NHoller, THupe, DNouhan, CTummino, PJUrumov, AZeikus, EZeikus, GGracheck, SJErickson, JW Nonpeptidic HIV protease inhibitors possessing excellent antiviral activities and therapeutic indices. PD 178390: a lead HIV protease inhibitor. Bioorg Med Chem 7:2775-800 (1999) [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:
BDBM2179
Synonyms:
(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-6-cyclopropyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one | 3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-6-cyclopropyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one | PD 178390 Analog 18
Type:
Small organic molecule
Emp. Form.:
C28H34O5S
Mol. Mass.:
482.632
SMILES:
Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)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