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TargetHIV-1 Protease
LigandBDBM12207
Substrate/CompetitorFluorogenic Peptide Substrate
Meas. Tech.Enzyme Inhibition Assay
pH4.5±n/a
Temperature303.15±n/a K
IC50 101±n/a nM
Citation Yeung, CMKlein, LLFlentge, CARandolph, JTZhao, CSun, MDekhtyar, TStoll, VSKempf, DJ Oximinoarylsulfonamides as potent HIV protease inhibitors. Bioorg Med Chem Lett15:2275-8 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   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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  Blast E-value cutoff:
BDBM12207
NameBDBM12207
Synonyms:(2S)-N-[(2S,3R)-4-[(4-ethenylbenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide | benzenesulfonamide analog 17
TypeSmall organic molecule
Emp. Form.C35H47N5O5S2
Mol. Mass.681.908
SMILESCC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=C)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Fluorogenic Peptide Substrate
Name:Fluorogenic Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:4156.59
Organism:n/a
Description:n/a
Residue:39
Sequence:
DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS