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Target
Protease
Ligand
BDBM50213021
Substrate
n/a
Meas. Tech.
ChEMBL_609663 (CHEMBL1067226)
IC50
0.400000±n/a nM
Citation
 Bonini, C; Chiummiento, L; De Bonis, M; Di Blasio, N; Funicello, M; Lupattelli, P; Pandolfo, R; Tramutola, F; Berti, F Synthesis of new thienyl ring containing HIV-1 protease inhibitors: promising preliminary pharmacological evaluation against recombinant HIV-1 proteases. J Med Chem 53:1451-7 (2010) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
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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