Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50498327
Substrate
n/a
Meas. Tech.
ChEMBL_1498205 (CHEMBL3583529)
Ki
0.014000±n/a nM
Citation
 Ghosh, AK; Yu, X; Osswald, HL; Agniswamy, J; Wang, YF; Amano, M; Weber, IT; Mitsuya, H Structure-based design of potent HIV-1 protease inhibitors with modified P1-biphenyl ligands: synthesis, biological evaluation, and enzyme-inhibitor X-ray structural studies. J Med Chem 58:5334-43 (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:
BDBM50498327
Synonyms:
CHEMBL3581664
Type:
Small organic molecule
Emp. Form.:
C35H44N2O9S
Mol. Mass.:
668.797
SMILES:
[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1cccc(c1)-c1cccc(OC)c1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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