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TargetHIV-1 Protease
LigandBDBM1022
Substrate/CompetitorPeptide Substrate
Meas. Tech.Protease Inhibition Assay
pH5±n/a
Temperature295.15±n/a K
Ki 4.3±n/a nM
Citation Turner, SRStrohbach, JWTommasi, RAAristoff, PAJohnson, PDSkulnick, HIDolak, LASeest, EPTomich, PKBohanon, MJHorng, MMLynn, JCChong, KTHinshaw, RRWatenpaugh, KDJanakiraman, MNThaisrivongs, S Tipranavir (PNU-140690): a potent, orally bioavailable nonpeptidic HIV protease inhibitor of the 5,6-dihydro-4-hydroxy-2-pyrone sulfonamide class. J Med Chem41:3467-76 (1998) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
HIV-1 Protease
Name:HIV-1 Protease
Synonyms:n/a
Type:Protein Complex
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2
Name:HIV-1 Protease chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM1022
NameBDBM1022
Synonyms:N-(3-[1-(5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)-2,2-dimethylpropyl]phenyl)-5-trifluoromethyl-2-pyridinesulfonamide | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]-2,2-dimethylpropyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide | Tipranavir deriv. 37
TypeSmall organic molecule
Emp. Form.C33H37F3N2O5S
Mol. Mass.630.717
SMILESCCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(C)(C)C)C(=O)O1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Peptide 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