Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]
Ligand
BDBM12882
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
0.36±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,D521N,V555I,N579D]
Synonyms:
HIV-1 Protease Mutant M2 (D30N, L63P, N88D)
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,D521N,V555I,N579D]
Synonyms:
HIV-1 Protease Mutant M2 (D30N, L63P, N88D) chain A | HIV-1 Protease Mutant M2 (D30N, L63P, N88D) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q498K,D521N,V555I,N579D]
Residue:
99
Sequence:
PQITLWKRPLVTIRIGGQLKEALLDTGADNTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRDLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]
Synonyms:
HIV-1 Protease Mutant M2 (D30N, L63P, N88D) chain A | HIV-1 Protease Mutant M2 (D30N, L63P, N88D) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q498K,D521N,V555I,N579D]
Residue:
99
Sequence:
PQITLWKRPLVTIRIGGQLKEALLDTGADNTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRDLLTQIGCTLNF
  
Inhibitor
Name:
BDBM12882
Synonyms:
(5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropyl]-2-oxo-3-[(3-trifluoromethyl)phenyl]-oxazolidine-5-carboxamide | (5S)-N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 25d
Type:
Small organic molecule
Emp. Form.:
C31H35F3N4O6S
Mol. Mass.:
648.693
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(N)cc1 |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