Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM9840
Substrate
Fluorogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
2.2±n/a nM
Citation
 Stranix, BR; Sauve, G; Bouzide, A; Cote, A; Sevigny, G; Yelle, J; Perron, V Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-disubstituted ureas. Bioorg Med Chem Lett 14:3971-4 (2004) [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:
BDBM9840
Synonyms:
3-[(5S)-5-[(4-aminobenzene)(3-methylbutyl)sulfonamido]-6-hydroxyhexyl]-1-(2H-1,3-benzodioxol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]urea | Lysine Sulfonamide 18a
Type:
Small organic molecule
Emp. Form.:
C34H46N4O7S
Mol. Mass.:
654.817
SMILES:
COc1cccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)c1 |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