Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50483095
Substrate
n/a
Meas. Tech.
ChEMBL_685646 (CHEMBL1285548)
Ki
0.122000±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:
BDBM50483095
Synonyms:
CHEMBL1276094
Type:
Small organic molecule
Emp. Form.:
C33H40N4O8S
Mol. Mass.:
652.758
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(NC(C)=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: