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Target
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B]
Ligand
BDBM805
Substrate
Fluorogenic substrate Abz-NF-6*
Meas. Tech.
Protease Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
Ki
45±n/a nM
Citation
 Glenn, MP; Pattenden, LK; Reid, RC; Tyssen, DP; Tyndall, JD; Birch, CJ; Fairlie, DP Beta-strand mimicking macrocyclic amino acids: templates for protease inhibitors with antiviral activity. J Med Chem 45:371-81 (2002) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B]
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 [491-589,Q7K,L33I,C67B,C95B]
Synonyms:
HIV-1 Mutant (C67B, C95B, Q7K, L33I, where B is L-R-amino-nbutyric acid) | HIV-1 Protease chain B | POL_HV1A2 | Synthetic HIV PR (SF2 isolate) | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10586.91
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q7K,L33I,C67B,C95B]
Residue:
97
Sequence:
PQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEIGHKAIGTVLVGPTPVNIIGRNLLTQIGTLNF
  
Component 2
Name:
Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B]
Synonyms:
HIV-1 Mutant (C67B, C95B, Q7K, L33I, where B is L-R-amino-nbutyric acid) | HIV-1 Protease chain B | POL_HV1A2 | Synthetic HIV PR (SF2 isolate) | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10586.91
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q7K,L33I,C67B,C95B]
Residue:
97
Sequence:
PQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEIGHKAIGTVLVGPTPVNIIGRNLLTQIGTLNF
  
Inhibitor
Name:
BDBM805
Synonyms:
Macrocycle-containing Compound 9k | tert-butyl N-[(7S,10S,13S)-13-[(1R)-2-[(4-acetamidobenzene)(3-methylbutyl)sulfonamido]-1-hydroxyethyl]-8,11-dioxo-10-(propoxymethyl)-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-7-yl]carbamate
Type:
17-membered macrocyclic ring
Emp. Form.:
C40H61N5O10S
Mol. Mass.:
804.005
SMILES:
CCCOC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)OC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorogenic substrate Abz-NF-6*
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA