Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50484353
Substrate
n/a
Meas. Tech.
ChEMBL_772987 (CHEMBL1837906)
Ki
186±n/a nM
Citation
 Ganguly, AK; Alluri, SS; Caroccia, D; Biswas, D; Wang, CH; Kang, E; Zhang, Y; McPhail, AT; Carroll, SS; Burlein, C; Munshi, V; Orth, P; Strickland, C Design, synthesis, and X-ray crystallographic analysis of a novel class of HIV-1 protease inhibitors. J Med Chem 54:7176-83 (2011) [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:
BDBM50484353
Synonyms:
CHEMBL1835924
Type:
Small organic molecule
Emp. Form.:
C26H33F3N2O5S
Mol. Mass.:
542.611
SMILES:
C[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(cc2C1)C(F)(F)F |r|
Structure:
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