Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Ligand
BDBM12883
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
0.72±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,Q498K,L501I,G539V,I545V,V555I,V573A]
Synonyms:
HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Synonyms:
HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain A | HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Residue:
99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIVGIGGFVKVRQYDQIPIEICGHKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Synonyms:
HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain A | HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Residue:
99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIVGIGGFVKVRQYDQIPIEICGHKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM12883
Synonyms:
(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]dioxole-5-sulfonyl)](isobutyl)amino]-1-benzyl-2-hydroxypropyl]-2-oxooxazolidine-5-carboxamide | (5S)-N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 26e
Type:
Small organic molecule
Emp. Form.:
C33H37N3O9S
Mol. Mass.:
651.727
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |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