Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50483099
Substrate
n/a
Meas. Tech.
ChEMBL_685646 (CHEMBL1285548)
Ki
0.026000±n/a nM
Citation
 Ali, A; Reddy, GS; Nalam, MN; Anjum, SG; Cao, H; Schiffer, CA; Rana, TM Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones. J Med Chem 53:7699-708 (2010) [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:
BDBM50483099
Synonyms:
CHEMBL1276099
Type:
Small organic molecule
Emp. Form.:
C33H37N5O8S2
Mol. Mass.:
695.806
SMILES:
COC(=O)Nc1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1 |r|
Structure:
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