Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM171356
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
400±n/a nM
Citation
 Ghosh, AK Nonpeptide HIV-1 protease inhibitors US Patent  US9085571 Publication Date 7/21/2015 
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:
BDBM171356
Synonyms:
US9085571, Table 1, Compound 4
Type:
Small organic molecule
Emp. Form.:
C32H42N4O6S
Mol. Mass.:
610.764
SMILES:
CCCNC(=O)c1cc(N)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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