Target
Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B]
Ligand
BDBM795
Substrate
Fluorogenic substrate Abz-NF-6*
Meas. Tech.
Protease Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
Ki
0.9±n/a nM
Citation
 Glenn, MPPattenden, LKReid, RCTyssen, DPTyndall, JDBirch, CJFairlie, 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:
BDBM795
Synonyms:
(2R)-2-[(7S,10S,13S)-7-amino-8,11-dioxo-10-(propan-2-yl)-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]-N-(4-aminophenyl)-2-hydroxy-N-(3-methylbutyl)ethane-1-sulfonamido | Macrocycle-containing Compound 9a
Type:
17-membered macrocyclic ring
Emp. Form.:
C32H49N5O6S
Mol. Mass.:
631.826
SMILES:
CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1 |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