Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50479598
Substrate
n/a
Meas. Tech.
ChEMBL_518621 (CHEMBL962766)
Ki
1250±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:
BDBM50479598
Synonyms:
CHEMBL478672
Type:
Small organic molecule
Emp. Form.:
C52H66N6O12S2
Mol. Mass.:
1031.243
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CSCCOCCOCCSC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Structure:
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