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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Ligand
BDBM9193
Substrate
HIV Protease substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.4±n/a
Temperature
298.15±n/a K
Ki
0.1±n/a nM
IC50
200±20 nM
Citation
 Sherrill, RG; Andrews, CW; Bock, WJ; Davis-Ward, RG; Furfine, ES; Hazen, RJ; Rutkowske, RD; Spaltenstein, A; Wright, LL Optimization of pyrrolidinone based HIV protease inhibitors. Bioorg Med Chem Lett 15:81-4 (2005) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
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 [501-599,Q508K,L534I,L564I,C568A,C596A]
Synonyms:
HIV-1 Protease chain A | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10732.11
Organism:
Human immunodeficiency virus type 1
Description:
The HIV-1 protease (Genbank HIVHXB2CG) clone was constructed with the substitutions Q7K, L33I, and L63I, to minimize the autoproteolysis of the protease, and C67A and C95A, to prevent cysteine-thiol oxidation.
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Synonyms:
HIV-1 Protease chain A | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10732.11
Organism:
Human immunodeficiency virus type 1
Description:
The HIV-1 protease (Genbank HIVHXB2CG) clone was constructed with the substitutions Q7K, L33I, and L63I, to minimize the autoproteolysis of the protease, and C67A and C95A, to prevent cysteine-thiol oxidation.
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Inhibitor
Name:
BDBM9193
Synonyms:
pyrrolidinone based inhibitor 1k
Type:
Small organic molecule
Emp. Form.:
C45H51N3O7
Mol. Mass.:
745.9023
SMILES:
O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(OCC(=O)N3CCOCC3)cc2)C[C@H](Cc2ccccc2)C1=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease substrate
Synonyms:
Fluorogenic Peptide Substrate
Type:
Peptide
Mol. Mass.:
3467.28
Organism:
n/a
Description:
n/a
Residue:
30
Sequence:
AMINENYLTHRILENLEPHEPNGLNARGNH