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Target
Protease
Ligand
BDBM50485278
Substrate
n/a
Meas. Tech.
ChEMBL_826740 (CHEMBL2051187)
IC50
0.600000±n/a nM
Citation
 Benedetti, F; Berti, F; Budal, S; Campaner, P; Dinon, F; Tossi, A; Argirova, R; Genova, P; Atanassov, V; Hinkov, A Synthesis and biological activity of potent HIV-1 protease inhibitors based on Phe-Pro dihydroxyethylene isosteres. J Med Chem 55:3900-10 (2012) [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:
BDBM50485278
Synonyms:
CHEMBL2046922
Type:
Small organic molecule
Emp. Form.:
C42H68N8O11
Mol. Mass.:
861.0363
SMILES:
[H][C@]1(CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O |r|
Structure:
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