Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50163739
Substrate
n/a
Meas. Tech.
ChEMBL_1576370 (CHEMBL3802587)
IC50
>100000±n/a nM
Citation
 Zhan, P; Pannecouque, C; De Clercq, E; Liu, X Anti-HIV Drug Discovery and Development: Current Innovations and Future Trends. J Med Chem 59:2849-78 (2016) [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:
BDBM50163739
Synonyms:
CHEMBL3798397
Type:
Small organic molecule
Emp. Form.:
C13H14O3
Mol. Mass.:
218.2485
SMILES:
COC(=O)c1ccc(OCCCC#C)cc1
Structure:
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