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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]
Ligand
BDBM9213
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
Citation
 Kazmierski, WM; Andrews, W; Furfine, E; Spaltenstein, A; Wright, L Discovery of potent pyrrolidone-based HIV-1 protease inhibitors with enhanced drug-like properties. Bioorg Med Chem Lett 14:5689-92 (2004) [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:
BDBM9213
Synonyms:
3-{[(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-2-oxopyrrolidin-3-yl]methyl}benzamide | Pyrrolidone scaffold 21
Type:
Small organic molecule
Emp. Form.:
C40H43N3O5
Mol. Mass.:
645.7865
SMILES:
NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |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