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Reaction Details
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TargetHIV-1 Protease
LigandBDBM1269
Substrate/CompetitorPeptide substrate
Meas. Tech.Protease Inhibition Assay
pH5.5±n/a
Temperature303.15±n/a K
IC50 0.24±n/a nM
Citation deSolms, SJGiuliani, EAGuare, JPVacca, JPSanders, WMGraham, SLWiggins, JMDarke, PLSigal, ISZugay, JA Design and synthesis of HIV protease inhibitors. Variations of the carboxy terminus of the HIV protease inhibitor L-682,679. J Med Chem34:2852-7 (1991) [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.:21524
Description:n/a
Components:This complex has 2 components.
Component 1
Name:Human immunodeficiency virus type 1 protease
Synonyms:Pol polyprotein
Type:Enzyme Subunit
Mol. Mass.:10781.16
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2
Name:Human immunodeficiency virus type 1 protease
Synonyms:Pol polyprotein
Type:Enzyme Subunit
Mol. Mass.:10781.16
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM1269
NameBDBM1269
Synonyms:L-682, 679 analog 28 | tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
TypeSmall organic molecule
Emp. Form.C36H47N3O5
Mol. Mass.601.7755
SMILESCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
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.:4618.57
Organism:n/a
Description:n/a
Residue:43
Sequence:
NH2-Val-Ser-Gln-Asn-(beta-napthylalanine)-Pro-Val-Ile-Gln-OH