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Reaction Details
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TargetHIV-1 Protease
LigandBDBM192
Substrate/Competitorfluorogenic peptide substrate
Meas. Tech.Protease Inhibition Assay
pH4.7±n/a
Temperature303.15±n/a K
Ki 0.07±n/a nM
Comments
Citation Sham, HLZhao, CStewart, KDBetebenner, DALin, SPark, CHKong, XPRosenbrook, WHerrin, TMadigan, DVasavanonda, SLyons, NMolla, ASaldivar, AMarsh, KCMcDonald, EWideburg, NEDenissen, JFRobins, TKempf, DJPlattner, JJNorbeck, DW A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease. J Med Chem39:392-7 (1996) [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:
BDBM192
NameBDBM192
Synonyms:(5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxyphenyl)methyl]-1,2,4-triazepan-3-one | (5R,6R)-2,4-Bis(4-hydroxybenzyl)-1,5-dibenzyl-6-hydroxy-3-oxo-1,2,4-triazacycloheptane | CHEMBL130078 | Unnamed azacyclic urea
Typen/a
Emp. Form.C32H33N3O4
Mol. Mass.523.6221
SMILESO[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |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:fluorogenic peptide
Mol. Mass.:3550.86
Organism:n/a
Description:n/a
Residue:33
Sequence:
DABCYL-GABASer-Gln-Tyr-Pro-Ile-Val-Gln-EDANS