Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM2166
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.2±n/a
Temperature
310.15±n/a K
Ki
18.4±n/a nM
Citation
 Prasad, JV; Boyer, FE; Domagala, JM; Ellsworth, EL; Gajda, C; Hamilton, HW; Hagen, SE; Markoski, LJ; Steinbaugh, BA; Tait, BD; Humblet, C; Lunney, EA; Pavlovsky, A; Rubin, JR; Ferguson, D; Graham, N; Holler, T; Hupe, D; Nouhan, C; Tummino, PJ; Urumov, A; Zeikus, E; Zeikus, G; Gracheck, SJ; Erickson, 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:
BDBM2166
Synonyms:
(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-6-[2-(4-hydroxy-phenyl)-ethyl]-6-pentyl-5,6-dihydro-pyran-2-one | 3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-pentyl-5,6-dihydro-2H-pyran-2-one | PD 178390 Analog 5
Type:
Small organic molecule
Emp. Form.:
C29H38O4S
Mol. Mass.:
482.675
SMILES:
CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1
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