Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50482856
Substrate
n/a
Meas. Tech.
ChEMBL_665403 (CHEMBL1261132)
Ki
3.5±n/a nM
Citation
 Halder, AK; Jha, T Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity. Bioorg Med Chem Lett 20:6082-7 (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:
BDBM50482856
Synonyms:
CHEMBL1255914
Type:
Small organic molecule
Emp. Form.:
C36H44N4O7
Mol. Mass.:
644.7572
SMILES:
COC(=O)NC(C(=O)N[C@H](CC(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r|
Structure:
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