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Target
Protease
Ligand
BDBM84460
Substrate
n/a
Meas. Tech.
ChEMBL_539233 (CHEMBL1025565)
IC50
6.0±n/a nM
Citation
 Giffin, MJ; Heaslet, H; Brik, A; Lin, YC; Cauvi, G; Wong, CH; McRee, DE; Elder, JH; Stout, CD; Torbett, BE A copper(I)-catalyzed 1,2,3-triazole azide-alkyne click compound is a potent inhibitor of a multidrug-resistant HIV-1 protease variant. J Med Chem 51:6263-70 (2008) [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:
BDBM84460
Synonyms:
HIV-1 PR Inhibitor, compound 6
Type:
Small organic molecule
Emp. Form.:
C34H41N5O7S
Mol. Mass.:
663.784
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r|
Structure:
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