Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50495683
Substrate
n/a
Meas. Tech.
ChEMBL_1290254 (CHEMBL3118383)
Ki
410000±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:
BDBM50495683
Synonyms:
CHEMBL3115094
Type:
Small organic molecule
Emp. Form.:
C23H29N3O3
Mol. Mass.:
395.4947
SMILES:
COc1cccc(CN(N2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: