Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50495682
Substrate
n/a
Meas. Tech.
ChEMBL_1290254 (CHEMBL3118383)
Ki
1122000±n/a nM
Citation
 Gros, G; Martinez, L; Gimenez, AS; Adler, P; Maurin, P; Wolkowicz, R; Falson, P; Hasserodt, J Modular construction of quaternary hemiaminal-based inhibitor candidates and their in cellulo assessment with HIV-1 protease. Bioorg Med Chem 21:5407-13 (2013) [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:
BDBM50495682
Synonyms:
CHEMBL3115095
Type:
Small organic molecule
Emp. Form.:
C29H33N3O2
Mol. Mass.:
455.5912
SMILES:
O=C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)N(Cc1ccccc1)N1CCCCC1 |r|
Structure:
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