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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM767
Substrate
Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
0.8±n/a nM
Citation
 Skulnick, HI; Johnson, PD; Howe, WJ; Tomich, PK; Chong, KT; Watenpaugh, KD; Janakiraman, MN; Dolak, LA; McGrath, JP; Lynn, JC Structure-based design of sulfonamide-substituted non-peptidic HIV protease inhibitors. J Med Chem 38:4968-71 (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:
BDBM767
Synonyms:
4-Cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl]phenyl]-benzenesulfonamide | 4-cyano-N-{3-[(S)-cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}benzene-1-sulfonamide | U-103,017
Type:
Small organic molecule
Emp. Form.:
C28H28N2O5S
Mol. Mass.:
504.597
SMILES:
Oc1c2CCCCCCc2oc(=O)c1[C@@H](C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
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