Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50067600
Substrate
n/a
Meas. Tech.
ChEMBL_1466205 (CHEMBL3405129)
Temperature
298.15±n/a K
IC50
890±n/a nM
Comments
extracted
Citation
 Yang, ZH; Bai, XG; Zhou, L; Wang, JX; Liu, HT; Wang, YC Synthesis and biological evaluation of novel HIV-1 protease inhibitors using tertiary amine as P2-ligands. Bioorg Med Chem Lett 25:1880-3 (2015) [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:
BDBM50067600
Synonyms:
CHEMBL3400722
Type:
Small organic molecule
Emp. Form.:
C36H48N4O8S
Mol. Mass.:
696.853
SMILES:
COc1ccc(cc1)N(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)CC(=O)N1CCOCC1 |r|
Structure:
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