Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM171359
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
1000±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:
BDBM171359
Synonyms:
US9085571, Table 1, Compound 7
Type:
Small organic molecule
Emp. Form.:
C39H54N4O8S
Mol. Mass.:
738.933
SMILES:
CCCN(C)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1)N(C)C(=O)OC(C)(C)C |r|
Structure:
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