Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50479603
Substrate
n/a
Meas. Tech.
ChEMBL_518621 (CHEMBL962766)
Ki
6800±n/a nM
Citation
 Bowman, MJ; Chmielewski, J Sidechain-linked inhibitors of HIV-1 protease dimerization. Bioorg Med Chem 17:967-76 (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:
BDBM50479603
Synonyms:
CHEMBL446001
Type:
Small organic molecule
Emp. Form.:
C46H70N6O10S2
Mol. Mass.:
931.212
SMILES:
CCCCC(=O)N[C@@H](CSCCOCCOCCSC[C@H](NC(=O)CCCC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Structure:
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