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Target
Dimer of Gag-Pol polyprotein [491-589,Q496K]
Ligand
BDBM12913
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
42±n/a nM
Citation
 Ali, A; Reddy, GS; Cao, H; Anjum, SG; Nalam, MN; Schiffer, CA; Rana, TM Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands. J Med Chem 49:7342-56 (2006) [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:
BDBM12913
Synonyms:
(5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[[(3-methoxyphenyl)-sulfonyl][(R)-(tetrahydro-2-furanyl)methyl]amino]propyl]-2-oxo-3-phenyloxazolidine-5-carboxamide | (5S)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxybenzene)[(2R)-oxolan-2-ylmethyl]sulfonamido]-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 39a
Type:
Small organic molecule
Emp. Form.:
C32H37N3O8S
Mol. Mass.:
623.716
SMILES:
COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C[C@H]1CCCO1 |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