Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50213021
Substrate
n/a
Meas. Tech.
ChEMBL_159463 (CHEMBL769250)
IC50
<0.400000±n/a nM
Citation
 Thomas, GJ; Bushnell, DJ; Martin, JA Carbocyclic analogues of hydroxyethylamine containing inhibitors of HIV proteinase Bioorg Med Chem Lett 4:2759-2762 (1994)    Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50213021
Synonyms:
CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | Ro-318959000 | Saquinavir | US10806794, Compound Saquinavir
Type:
Small organic molecule
Emp. Form.:
C38H50N6O5
Mol. Mass.:
670.8408
SMILES:
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Structure:
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