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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1181
Substrate
Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
23±n/a nM
Citation
 Thaisrivongs, S; Janakiraman, MN; Chong, KT; Tomich, PK; Dolak, LA; Turner, SR; Strohbach, JW; Lynn, JC; Horng, MM; Hinshaw, RR; Watenpaugh, KD Structure-based design of novel HIV protease inhibitors: sulfonamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent non-peptidic inhibitors. J Med Chem 39:2400-10 (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:
BDBM1181
Synonyms:
N-(3-{cyclopropyl[6-(1,3-dicyclopropylpropan-2-yl)-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl}phenyl)benzenesulfonamide | N-[3-[Cyclopropyl[6-[2-cyclopropyl-1-(cyclopropyl-methyl)ethyl]-4-hydroxy-2-oxo-2H-pyran-3-yl]methyl]phenyl]benzenesulfonamide | Sulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XXI
Type:
Small organic molecule
Emp. Form.:
C30H33NO5S
Mol. Mass.:
519.652
SMILES:
Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(CC1CC1)CC1CC1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1447.64
Organism:
n/a
Description:
The peptide was derivatized with biotin and fluorescein isothiocyanate at the amino and carboxy termini.
Residue:
12
Sequence:
RVSQNYPIVQNK