Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM3397
Substrate
Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.6±n/a
Temperature
310.15±n/a K
Ki
83000±23000 nM
Citation
 Reich, SHMelnick, MDavies, JFAppelt, KLewis, KKFuhry, MAPino, MTrippe, AJNguyen, DDawson, H Protein structure-based design of potent orally bioavailable, nonpeptide inhibitors of human immunodeficiency virus protease. Proc Natl Acad Sci U S A 92:3298-302 (1995) [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:
BDBM3397
Synonyms:
2-Butanol deriv. 4 | N-tert-butyl-2-(3-{[2-(tert-butylcarbamoyl)phenyl]sulfanyl}-2-hydroxypropyl)benzamide | diarylbutanol deriv. 4 | tert-Butyl-2-[3-[[2-(tert-Butylcarbamoyl)phenyl]sulfanyl]-2-hydroxypropyl]benzamide
Type:
Small organic molecule
Emp. Form.:
C25H34N2O3S
Mol. Mass.:
442.614
SMILES:
CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(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