Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50270564
Substrate
n/a
Meas. Tech.
ChEMBL_1709400 (CHEMBL4119449)
IC50
>1000±n/a nM
Citation
 Bai, X; Yang, Z; Zhu, M; Dong, B; Zhou, L; Zhang, G; Wang, J; Wang, Y Design and synthesis of potent HIV-1 protease inhibitors with (S)-tetrahydrofuran-tertiary amine-acetamide as P2-ligand: Structure-activity studies and biological evaluation. Eur J Med Chem 137:30-44 (2017) [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:
BDBM50270564
Synonyms:
CHEMBL4128154
Type:
Small organic molecule
Emp. Form.:
C31H43F3N4O7S
Mol. Mass.:
672.756
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN(CC(=O)N(C)C)[C@H]1CCOC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|
Structure:
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