Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM9795
Substrate
Fluorogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
3.5±n/a nM
Citation
 Stranix, BR; Sauve, G; Bouzide, A; Cote, A; Sevigny, G; Yelle, J Lysine sulfonamides as novel HIV-protease inhibitors: optimization of the Nepsilon-acyl-phenyl spacer. Bioorg Med Chem Lett 13:4289-92 (2003) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599]
Synonyms:
HIV-1 Protease | HIV-1 Protease, recombinant, isolate HXB2
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM9795
Synonyms:
2-{[(3,4-dimethoxyphenyl)methyl](phenyl)amino}-N-[(5S)-6-hydroxy-5-[(4-methylbenzene)(2-methylpropyl)sulfonamido]hexyl]acetamide | Lysine Sulfonamide 13g
Type:
Small organic molecule
Emp. Form.:
C34H47N3O6S
Mol. Mass.:
625.818
SMILES:
COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4156.59
Organism:
n/a
Description:
n/a
Residue:
39
Sequence:
DACYLGAMMAASERGLNASNTYRPRILEVALGLNEDANS