Reaction Details  Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM3412
Substrate
Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.6±n/a
Temperature
310.15±n/a K
Ki
1200±400 nM
Citation
 Reich, SH; Melnick, M; Pino, MJ; Fuhry, MA; Trippe, AJ; Appelt, K; Davies, JF; Wu, BW; Musick, L Structure-based design and synthesis of substituted 2-butanols as nonpeptidic inhibitors of HIV protease: secondary amide series. J Med Chem 39:2781-94 (1996) [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:
BDBM3412
Synonyms:
2-Butanol deriv. 20 | N-tert-butyl-2-{4-[4-tert-butyl-2-(tert-butylcarbamoyl)phenyl]-2-hydroxybutyl}naphthalene-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C34H46N2O3
Mol. Mass.:
530.7406
SMILES:
CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Chromogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3763.66
Organism:
n/a
Description:
n/a
Residue:
35
Sequence:
HISLYSALAARGVALLEPHEPNGLALANLESERNH