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Target
HIV-1 protease
Ligand
BDBM86658
Substrate
n/a
Meas. Tech.
Fluorometric Assay
Ki
0.021±0.0 nM
IC50
0.17±0.0 nM
Citation
 Ziólkowska, NE; Bujacz, A; Randad, RS; Erickson, JW; Skálová, T; Hasek, J; Bujacz, G New active HIV-1 protease inhibitors derived from 3-hexanol: conformation study of the free inhibitors in crystalline state and in complex with the enzyme. Chem Biol Drug Des 79:798-809 (2012) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 protease wild type
Type:
Protein
Mol. Mass.:
10757.68
Organism:
Human immunodeficiency virus
Description:
O90785
Residue:
99
Sequence:
PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYEQVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM86658
Synonyms:
3-Hexanol derivative, 4
Type:
Small organic molecule
Emp. Form.:
C36H48N4O6
Mol. Mass.:
632.7895
SMILES:
CC(C)[C@H](N(C)C(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Structure:
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