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Target
Dimer of Gag-Pol polyprotein [491-589,Q496K]
Ligand
BDBM17846
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
pH
4.7±n/a
Temperature
303.15±n/a K
Ki
1090±n/a nM
Citation
 Reddy, GS; Ali, A; Nalam, MN; Anjum, SG; Cao, H; Nathans, RS; Schiffer, CA; Rana, TM Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J Med Chem 50:4316-28 (2007) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [491-589,Q496K]
Synonyms:
HIV-1 Protease | HIV-1 Protease (Q7K)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [491-589,Q496K]
Synonyms:
HIV-1 Protease chain A | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q496K]
Residue:
99
Sequence:
PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [491-589,Q496K]
Synonyms:
HIV-1 Protease chain A | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q496K]
Residue:
99
Sequence:
PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM17846
Synonyms:
(5S)-3-(3-acetylphenyl)-N-[(2S,3S)-4-{[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}formohydrazido}-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide | (Hydroxyethyl)hydrazine Isostere-Based Compound, 40
Type:
Small organic molecule
Emp. Form.:
C46H44N6O9
Mol. Mass.:
824.8764
SMILES:
CC(=O)c1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Protease Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4728.18
Organism:
n/a
Description:
n/a
Residue:
44
Sequence:
ARGGLEDANSSERGLNASNTYRPRILEVALGLNLYSDACYLARG