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Target
HIV-1 protease
Ligand
BDBM50213021
Substrate
n/a
Meas. Tech.
ChEMBL_491047 (CHEMBL982907)
Ki
0.220000±n/a nM
Citation
 Kozísek, M; Cígler, P; Lepsík, M; Fanfrlík, J; Rezácová, P; Brynda, J; Pokorná, J; Plesek, J; Grüner, B; Grantz Sasková, K; Václavíková, J; Král, V; Konvalinka, J Inorganic polyhedral metallacarborane inhibitors of HIV protease: a new approach to overcoming antiviral resistance. J Med Chem 51:4839-43 (2008) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 | HIV-1 protease | protease
Type:
PROTEIN
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus
Description:
ChEMBL_118439
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
  
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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