Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM171357
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
20±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:
BDBM171357
Synonyms:
US9085571, Table 1, Compound 5
Type:
Small organic molecule
Emp. Form.:
C38H51N5O5
Mol. Mass.:
657.842
SMILES:
Cc1nc(CNC(=O)c2cccc(c2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)c(C)o1 |r|
Structure:
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