Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50480049
Substrate
n/a
Meas. Tech.
ChEMBL_499570 (CHEMBL1025438)
Ki
292000±n/a nM
Citation
 Waibel, M; Pitrat, D; Hasserodt, J On the inhibition of HIV-1 protease by hydrazino-ureas displaying the N-->C=O interaction. Bioorg Med Chem 17:3671-9 (2009) [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:
BDBM50480049
Synonyms:
CHEMBL512599
Type:
Small organic molecule
Emp. Form.:
C31H43N5O4
Mol. Mass.:
549.7042
SMILES:
CC(C)[C@H](NC(C)(C)C)C(=O)NC(=O)[C@@H]1CCC[N+]11C([O-])[C@H](Cc2ccccc2)NC(=O)N1Cc1ccccc1 |r|
Structure:
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