Target
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]
Ligand
BDBM519
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
1.03±n/a nM
Citation
 Reddy, GSAli, ANalam, MNAnjum, SGCao, HNathans, RSSchiffer, CARana, 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,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:
BDBM519
Synonyms:
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | CHEMBL114 | Fortovase | Invirase | Ro 31-8959 | SQV | Saquinavir
Type:
Small organic molecule
Emp. Form.:
C38H50N6O5
Mol. Mass.:
670.8408
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|
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