Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50484743
Substrate
n/a
Meas. Tech.
ChEMBL_807276 (CHEMBL1960369)
Ki
3.8±n/a nM
Citation
 Yan, J; Huang, N; Li, S; Yang, LM; Xing, W; Zheng, YT; Hu, Y Synthesis and biological evaluation of novel amprenavir-based P1-substituted bi-aryl derivatives as ultra-potent HIV-1 protease inhibitors. Bioorg Med Chem Lett 22:1976-9 (2012) [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:
BDBM50484743
Synonyms:
CHEMBL1957074
Type:
Small organic molecule
Emp. Form.:
C31H39N3O7S
Mol. Mass.:
597.722
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccncc1)NC(=O)O[C@H]1CCOC1 |r|
Structure:
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