Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50498331
Substrate
n/a
Meas. Tech.
ChEMBL_1498205 (CHEMBL3583529)
Ki
0.580000±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:
BDBM50498331
Synonyms:
CHEMBL3581669
Type:
Small organic molecule
Emp. Form.:
C34H44N2O9S
Mol. Mass.:
656.786
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1cccc(c1)-c1cc(OC)cc(OC)c1)NC(=O)O[C@H]1CCOC1 |r|
Structure:
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